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1 online resource (xvii, 645 pages) : illustrations (chiefly color).
  • An introduction to the disease. Alzheimer’s disease therapy: present and future molecules / Awanish Kumar, Ashwini Kumar
  • Computational modeling methods for anti-Alzheimer agents. Recent advances in computational approaches for designing potential anti-Alzheimer’s agents / Sergi Gómez-Ganau, Jesús Vicente de Julián-Ortiz, Rafael Gozalbes
  • Computer-aided drug design approaches to study key therapeutic targets in Alzheimer’s disease / Agostinho Lemos, Rita Melo, Irina S. Moreira, M. Natália D. S. Cordeiro
  • Virtual screening in the search of new and potent anti-Alzheimer agents / Livia Basile
  • Molecular field topology analysis (MFTA) in the design of neuroprotective compounds / Eugene V. Radchenko, Vladimir A. Palyulin, Nikolay S. Zefirov
  • Modeling of ligands acting against specific anti-Alzheimer drug targets. Galantamine derivatives as acetylcholinesterase inhibitors: docking, design, synthesis, and inhibitory activity / Irini Doytchinova, Mariyana Atanasova, Georgi Stavrakov, Irena Philipova, Dimitrina Zheleva-Dimitrova
  • Modeling of BACE-1 inhibitors as anti-Alzheimer’s agents / Odailson Santos Paz, Thamires Quadros Froes, Franco Henrique Leite, Marcelo Santos Castilho
  • Design of anti-Alzheimer’s disease agents focusing on a specific interaction with target biomolecules / Yoshio Hamada, Kenji Usui
  • Molecular docking and molecular dynamics simulation to evaluate compounds that avoid the amyloid beta aggregation / Maricarmen Hernández Rodríguez, Leticia Guadalupe Fragoso Morales, José Correa Basurto, Martha Cecilia Rosales Hernández
  • In silico strategies to design small molecules to study beta-amyloid aggregation / Praveen P. N. Rao, Deguo Du
  • Computational approaches to understand cleavage mechanism of amyloid beta (A[beta]) peptide / Kailas Dashrath Sonawane, Maruti Jayaram Dhanavade
  • Computational modeling of gamma-secretase inhibitors as anti-Alzheimer agents / Prabu Manoharan, Nanda Ghoshal
  • Molecular modeling of tau proline-directed protein kinase (PDPK) inhibitors / Carlos Navarro-Retamal, Julio Caballero
  • Computational modelling of kinase inhibitors as anti-Alzheimer agents / Mange Ram Yadav, Mahesh A. Barmade, Rupesh V. Chikhale, Prashant R. Murumkar
  • Computational modeling of drugs for Alzheimer’s disease: design of serotonin 5-HT6 antagonists / Ádám A. Kelemen, Stefan Mordalski, Andrzej J. Bojarski, György M. Keserű
  • Computational modeling of diagnostic imaging agents for Alzheimer’s disease: molecular imaging agents for the in vivo detection of amyloid plaques in Alzheimer’s disease / Dionysia Papagiannopoulou, Dimitra Hadjipavlou-Litina
  • Special topics. Computational approaches for therapeutic application of natural products in Alzheimer’s disease / Manika Awasthi, Swati Singh, Sameeksha Tiwari, Veda P. Pandey, Upendra N. Dwivedi
  • In silico studies applied to natural products with potential activity against Alzheimer’s disease / Luciana Scotti, Marcus T. Scotti
  • Computational modeling of multi-target-directed inhibitors against Alzheimer’s disease / Akhil Kumar, Ashok Sharma
  • Neuropharmacology in flux: molecular modeling tools for understanding protein conformational shifts in Alzheimer’s disease and related disorders / Gerald H. Lushington, Frances E. S. Parker, Thomas H. W. Lushington, Nora M. Wallace
  • Computational nanotechnology: a tool for screening therapeutic nanomaterials against Alzheimer’s disease / R. Navanietha Krishnaraj, Dipayan Samanta, Rajesh K. Sani.
"This volume describes different computational methods encompassing ligand-based approaches (QSAR, pharmcophore), structure-based approaches (homology modeling, docking, molecular dynamics simulation), and combined approaches (virtual screening) with applications in anti-Alzheimer drug design. Different background topics like molecular etiologies of Alzheimer’s disease, targets for new drug development, and different cheminformatic modeling strategies are covered for completeness. Special topics like multi-target drug development, natural products, protein misfolding, and nanomaterials are also included in connection with computational modeling of anti-Alzheimer drug development. In Neuromethods series style, chapters include the kind of detail and key advice from the specialists needed to get successful results in your laboratory. Cutting-edge and authoritative, Computational Modeling of Drugs Against Alzheimer’s Disease is a valuable resource for learning about the latest computational techniques used to study this disease"--Publisher's description.
1 online resource
  • List of Contributors 1. IntroductionDonald Huddler 2. Thermodynamics in Drug DiscoveryOBrienMarkova&Holdgate 3. Tailoring Hit Identification and Qualification Methods for Targeting Protein-Protein InteractionsBjorn Walse, Andrew P. Turnbull, Susan M. Boyd 4. HYDROGEN DEUTERIUM EXCHANGE MASS SPECTROMETRY IN DRUG DISCOVERYThorleif Lavold, Roman Zubarev and Juan Astorga-Wells 5. MICROSCALE THERMOPHORESIS IN DRUG DISCOVERYTanja Bartoschik, Melanie Maschberger, Alessandra Feoli, Timon Andre, Philipp Baaske, Stefan Duhr and Dennis Breitsprecher 6. SPR Screening Applying the new generation of SPR hardwareKartik Narayan and Steve Carroll 7. Weak Affinity Chromatography (WAC)Sten Ohlsonâ and Minh-Dao Duong-Thi 8. 1D NMR Methods for Hit IdentificationMary J Harner, Guille Metzler, Caroline A Fanslau, Luciano Mueller, William J Metzler 9. Protein-Based NMR Methods Applied to Drug DiscoveryAlessio Bortoluzzi, Alessio Ciulli 10. Applications of Ligand and Protein-observed NMR in DiscoveryIsabelle Krimm Conclusion 11. Using Biophysical Methods to Optimize Compound Residence TimeG. A. Holdgate, P. Rawlins, M. Bista, C. J. Stubbs 12. Applying biophysical and biochemical methods to the discovery of allosteric modulators of the AAA ATPase p97Stacie L. Bulfer and Michelle R. Arkin 13. Driving Drug Discovery with Biophysical Information Application to Staphylococcus aureus Dihydrofolate Reductase (DHFR)Parag Sahasrabudhe, Veerabahu Shanmugasundaram, Mark Flanagan, Kris A. Borzilleri, Holly Heaslet, Anil Rane, Alex McColl, Tim Subashi, George Karam, Ron Sarver, Melissa Harris, Boris A. Chrunyk, Chakrapani Subramanyam, Thomas V. Magee, Kelly Fahnoe, Brian Lacey, Henry Putz, J. Richard Miller, Jaehyun Cho, Arthur Palmer III and Jane M. Withka 14. Assembly of fragment screening libraries: Property and diversity analysisBradley C. Doak, Craig J. Morton, Jamie S. Simpson & Martin J. Scanlon Index.
  • (source: Nielsen Book Data)9781119099482 20170731
Applied Biophysics for Drug Discovery is a guide to new techniques and approaches to identifying and characterizing small molecules in early drug discovery. Biophysical methods are reasserting their utility in drug discovery and through a combination of the rise of fragment-based drug discovery and an increased focus on more nuanced characterisation of small molecule binding, these methods are playing an increasing role in discovery campaigns. This text emphasizes practical considerations for selecting and deploying core biophysical method, including but not limited to ITC, SPR, and both ligand-detected and protein-detected NMR. Topics covered include: Design considerations in biophysical-based lead screening Thermodynamic characterization of protein-compound interactions Characterizing targets and screening reagents with HDX-MS Microscale thermophoresis methods (MST) Screening with Weak Affinity Chromatography Methods to assess compound residence time 1D-NMR methods for hit identification Protein-based NMR methods for SAR development Industry case studies integrating multiple biophysical methods This text is ideal for academic investigators and industry scientists planning hit characterization campaigns or designing and optimizing screening strategies.
(source: Nielsen Book Data)9781119099482 20170731
1 online resource.
  • List of Contributors xiii Preface xix 1 Introduction 1 Christine Seymour and Gintaras V. Reklaitis 1.1 Quality by Design Overview 1 1.2 Pharmaceutical Industry 2 1.3 Quality by Design Details 3 1.4 Chapter Summaries 4 References 7 2 An Overview of the Role of Mathematical Models in Implementation of Quality by Design Paradigm for Drug Development and Manufacture 9 Sharmista Chatterjee, Christine M. V. Moore, and Moheb M. Nasr 2.1 Introduction 9 2.2 Overview of Models 9 2.3 Role of Models in QbD 12 2.4 General Scientific Considerations for Model Development 20 2.5 Scientific Considerations for Maintenance of Models 22 2.6 Conclusion 23 References 23 3 Role of Automatic Process Control in Quality by Design 25 Mo Jiang, Nicholas C. S. Kee, Xing Yi Woo, Li May Goh, Joshua D. Tice, Lifang Zhou, Reginald B. H. Tan, Charles F. Zukoski, Mitsuko Fujiwara, Zoltan K. Nagy, Paul J. A. Kenis, and Richard D. Braatz 3.1 Introduction 25 3.2 Design of Robust Control Strategies 31 3.3 Some Example Applications of Automatic Feedback Control 35 3.4 The Role of Kinetics Modeling 40 3.5 Ideas for a Deeper QbD Approach 42 3.6 Summary 44 Acknowledgments 46 References 47 4 Predictive Distributions for Constructing the ICH Q8 Design Space 55 John J. Peterson, Mohammad Yahyah, Kevin Lief, and Neil Hodnett 4.1 Introduction 55 4.2 Overlapping Means Approach 56 4.3 Predictive Distribution Approach 59 4.4 Examples 61 4.5 Summary and Discussion 68 Acknowledgments 69 References 69 5 Design of Novel Integrated Pharmaceutical Processes: A Model ]Based Approach 71 Alicia Roman ]Martinez, John M. Woodley, and Rafiqul Gani 5.1 Introduction 71 5.2 Problem Description 73 5.3 Methodology 76 5.4 Application: Case Study 80 5.5 Conclusions 91 References 91 6 Methods and Tools for Design Space Identification in Pharmaceutical Development 95 Fani Boukouvala, Fernando J. Muzzio, and Marianthi G. Ierapetritou 6.1 Introduction 95 6.2 Design Space: A Multidisciplinary Concept 98 6.3 Integration of Design Space and Control Strategy 102 6.4 Case Studies 102 6.5 Conclusions 119 Acknowledgment 120 References 120 7 Using Quality by Design Principles as a Guide for Designing a Process Control Strategy 125 Christopher L. Burcham, Mark LaPack, Joseph R. Martinelli, and Neil McCracken 7.1 Introduction 125 7.2 Chemical Sequence, Impurity Formation, and Control Strategy 130 7.3 Mass Transfer and Reaction Kinetics 140 7.4 Optimal Processing Conditions 165 7.5 Predicted Product Quality under Varied Processing Conditions 174 7.6 Conclusions 186 Acknowledgments 187 Notation 187 Acronyms 187 Symbols 187 Notes 189 References 189 8 A Strategy for Tablet Active Film Coating Formulation Development Using a Content Uniformity Model and Quality by Design Principles 193 Wei Chen, Jennifer Wang, Divyakant Desai, Shih ]Ying Chang, San Kiang, and Olav Lyngberg 8.1 Introduction 193 8.2 Content Uniformity Model Development 197 8.3 RSD Model Validation and Sensitivity Analysis for Model Parameters 212 8.4 Model ]Based Design Space Establishment for Tablet Active Film Coating 219 8.5 Summary 229 Notations 230 References 230 9 Quality by Design: Process Trajectory Development for a Dynamic Pharmaceutical Coprecipitation Process Based on an Integrated Real ]Time Process Monitoring Strategy 235 Huiquan Wu and Mansoor A. Khan 9.1 Introduction 235 9.2 Experimental 237 9.3 Data Analysis Methods 239 9.4 Results and Discussion 240 9.5 Challenges and Opportunities for PCA ]Based Data Analysis and Modeling in Pharmaceutical PAT and QbD Development 250 9.6 Conclusions 252 Acknowledgments 252 References 253 10 Application of Advanced Simulation Tools for Establishing Process Design Spaces Within the Quality by Design Framework 257 Siegfried Adam, Daniele Suzzi, Gregor Toschkoff, and Johannes G. Khinast 10.1 Introduction 257 10.2 Computer Simulation ]Based Process Characterization of a Pharmaceutical Blending Process 261 10.3 Characterization of a Tablet Coating Process via CFD Simulations 276 10.4 Overall Conclusions 294 References 295 11 Design Space Definition: A Case Study Small Molecule Lyophilized Parenteral 301 Linas Mockus, David LeBlond, Gintaras V. Reklaitis, Prabir K. Basu, Tim Paul, Nathan Pease, Steven L. Nail, and Mansoor A. Khan 11.1 Introduction 301 11.2 Case Study: Bayesian Treatment of Design Space for a Lyophilized Small Molecule Parenteral 302 11.3 Results 307 11.4 Conclusions 311 Appendix 11.A Implementation Using WinBUGS and R 311 Shelf Life 315 Notation 316 Acknowledgments 317 References 317 12 Enhanced Process Design and Control of a Multiple ]Input Multiple ]Output Granulation Process 319 Rohit Ramachandran 12.1 Introduction and Objectives 319 12.2 Population Balance Model 320 12.3 Simulation and Controllability Studies 323 12.4 Identification of Existing Optimal Control ]Loop Pairings 327 12.5 Novel Process Design 330 12.6 Conclusions 335 References 336 13 A Perspective on the Implementation of QbD on Manufacturing through Control System: The Fluidized Bed Dryer Control with MPC and NIR Spectroscopy Case 339 Leonel Quinones, Luis Obregon, and Carlos Velazquez 13.1 Introduction 339 13.2 Theory 340 13.3 Materials and Methods 344 13.4 Results and Discussion 348 13.5 Continuous Fluidized Bed Drying 355 13.6 Control Limitations 356 13.7 Conclusions 357 Acknowledgment 357 References 357 14 Knowledge Management in Support of QbD 361 G. Joglekar, Gintaras V. Reklaitis, A. Giridhar, and Linas Mockus 14.1 Introduction 361 14.2 Knowledge Hierarchy 363 14.3 Review of Existing Software 364 14.4 Workflow ]Based Framework 365 14.5 Drug Substance Case Study 368 14.6 Design Space 374 14.7 Technical Challenges 382 14.8 Conclusions 384 References 385 Index 387.
  • (source: Nielsen Book Data)9780470942376 20170925
Covers a widespread view of Quality by Design (QbD) encompassing the many stages involved in the development of a new drug product. The book provides a broad view of Quality by Design (QbD) and shows how QbD concepts and analysis facilitate the development and manufacture of high quality products. QbD is seen as a framework for building process understanding, for implementing robust and effective manufacturing processes and provides the underpinnings for a science-based regulation of the pharmaceutical industry. Edited by the three renowned researchers in the field, Comprehensive Quality by Design for Pharmaceutical Product Development and Manufacture guides pharmaceutical engineers and scientists involved in product and process development, as well as teachers, on how to utilize QbD practices and applications effectively while complying with government regulations. The material is divided into three main sections: the first six chapters address the role of key technologies, including process modeling, process analytical technology, automated process control and statistical methodology in supporting QbD and establishing the associated design space. The second section consisting of seven chapters present a range of thoroughly developed case studies in which the tools and methodologies discussed in the first section are used to support specific drug substance and drug-product QbD related developments. The last section discussed the needs for integrated tools and reviews the status of information technology tools available for systematic data and knowledge management to support QbD and related activities. Highlights Demonstrates Quality by Design (QbD) concepts through concrete detailed industrial case studies involving of the use of best practices and assessment of regulatory implications Chapters are devoted to applications of QbD methodology in three main processing sectors drug substance process development, oral drug product manufacture, parenteral product processing, and solid-liquid processingReviews the spectrum of process model types and their relevance, the range of state-of-the-art real-time monitoring tools and chemometrics, and alternative automatic process control strategies and methods for both batch and continuous processesThe role of the design space is demonstrated through specific examples and the importance of understanding the risk management aspects of design space definition is highlighted Comprehensive Quality by Design for Pharmaceutical Product Development and Manufacture is an ideal book for practitioners, researchers, and graduate students involved in the development, research, or studying of a new drug and its associated manufacturing process.
(source: Nielsen Book Data)9780470942376 20170925
This book is a structured approach to designing a product and its associated manufacturing process. It shows pharmaceutical engineers and scientists involved in product and process development how to utilize QbD practices and applications effectively while complying with government regulations. Material includes discussion of how to utilize design space, models, process control methodology, and cumulative process knowledge to seek improvements in manufacturing, while maintaining and enhancing product performance. Edited by three renowned researchers in the field, this invaluable resource is an essential tool for all pharmaceutical professionals.
(source: Nielsen Book Data)9781119356165 20170925
1 online resource ( viii, 87 pages.) :.
  • Introduction Networks and Pathways in Systems Pharmacology Time Varying Methods for Pathway and Sub-Pathway Analysis Identification of Differentially Expressed Pathways and Sub-Pathways.
  • (source: Nielsen Book Data)9783319538679 20170821
This work offers a guided walkthrough of one of the most promising research areas in modern life sciences, enabling a deeper understanding of involved concepts and methodologies via an interdisciplinary view, focusing on both well-established approaches and cutting-edge research. Highlighting what pathway analysis can offer to both the experimentalist and the modeler, the text opens with an introduction to a general methodology that outlines common workflows shared by several methods. This is followed by a review of pathway and sub-pathway based approaches for systems pharmacology. The work then presents an overview of pathway analysis methods developed to model the temporal aspects of drug- or disease-induced perturbations and extract relevant dynamic themes. The text concludes by discussing several state-of-the-art methods in pathway analysis, which address the important problem of identifying differentially expressed pathways and sub-pathways.
(source: Nielsen Book Data)9783319538679 20170821
ProQuest Ebook Central Access limited to 1 user
1 online resource
  • 1. Introduction 2. Multitarget-Directed Antioxidants as Therapeutic Agents: Putting the Focus on the Oxidative Stress 3. Towards Gaseous Mediator Hybrid Drugs 4. Designed Hybrid Compounds for Tropical Parasitic Diseases 5. Dual-Acting Compounds Acting as Receptor Ligands and Enzyme Inhibitors 6. Multitarget Anti-Alzheimer Hybrid Compounds: Do They Work In Vivo? 7. Anticancer Hybrids 8. Molecular Hybridization: An Emerging Tool for the Design of Novel Therapeutics for Alzheimer's Disease 9. Computational Methods in Multitarget Drug Discovery 10. Medicinal Chemistry of Hybrids for Neurodegenerative Diseases 11. Photoresponsive Hybrid Compounds.
  • (source: Nielsen Book Data)9780081010112 20170515
Design of Hybrid Molecules for Drug Development reviews the principles, advantages, and limitations involved with designing these groundbreaking compounds. Beginning with an introduction to hybrid molecule design and background as to their need, the book goes on to explore a range of important hybrids, with hybrids containing natural products, molecules containing NO- and H2S-donors, dual-acting compounds acting as receptor ligands and enzyme inhibitors, and the design of photoresponsive drugs all discussed. Drawing on practical case studies, the hybridization of molecules for development as treatments for a number of key diseases is then outlined, including the design of hybrids for Alzheimer's, cancer, and malaria. With its cutting-edge reviews of breaking developments in this exciting field, the book offers a novel approach for all those working in the design, development, and administration of drugs for a range of debilitating disorders.
(source: Nielsen Book Data)9780081010112 20170515
1 online resource (186 p.) : ill. (some col.).
"This book is an excursion into the drug development process, from the initial conception in a chemical or molecular biology lab, via tests in isolated cells and animals, to the stage of clinical trials. The human body is a complex ecosystem where little is conclusively known in terms of its response to medication, for both sick and healthy individuals. The considerable degree of uncertainty inherent in health-related research can lead to approval of controversial medicines, particularly in high-stakes scenarios and medical crises. Real-life examples are drawn on here to explain the decision making processes behind the acceptance of new drugs, disproving misconceptions around medicines by delving into the history and current practice of the drug development process. Originally written in Italian, How Medicines are Born helps patients, students, public health officials physicians, healthcare practitioners and biomedical scientists make informed decisions on the benefits and disadvantages of select medicine based on an understanding of the history of drug development. Published in Italian (2014), M D'Incalci & L Vozza, Come Nascono le Medicine; La scienza imperfetta dei farmaci. Bologna: Zanichelli"--Publisher's website.
online resource (xiii, 246 pages) : illustrations ; 24 cm
Medical Library (Lane)
1 online resource (980 pages) : illustrations.
  • Fundamental concepts and design methodologies
  • Technologies and applications
  • Organizational implications and critical issues
  • Emerging trends.
Advancements in cancer diagnosis and treatment have extended the lives of many patients facing numerous types of cancer over the years. Research on best practices, new drug development, early identification, and treatment continues to advance with the ultimate goal of uncovering a cure for cancer in all its forms. Oncology: Breakthroughs in Research and Practice features international perspectives on cancer identification, treatment, and management methodologies in addition to patient considerations and outlooks for the future. This collection of emerging research provides valuable insight for researchers, graduate-level students, and professionals in the medical field.
(source: Nielsen Book Data)9781522505495 20161213
1 online resource.
  • Drug approval process and regulatory requirements / Roger Dabbah
  • Pharmacopeias and compendial approval process / Roger Dabbah
  • Common methods in pharmaceutical analysis / Behnam Davani
  • Common calculations / Behnam Davani
  • Analytical method validation, verification, transfer / Behnam Davani
  • Specifications / Ernest Parente
  • Impurities / Behnam Davani
  • Good documentation practices / Afsaneh Motamed Khorasani
  • Management of analytical laboratories / Roger Dabbah
  • Analytical instrument qualifications / Shaligram Rane and Rustom Mody.
A comprehensive introduction for scientists engaged in new drug development, analysis, and approvals Each year the pharmaceutical industry worldwide recruits thousands of recent science graduates especially chemistry, analytical chemistry, pharmacy, and pharmaceutical majors into its ranks. However, because of their limited background in pharmaceutical analysis most of those new recruits find making the transition from academia to industry very difficult. Designed to assist both recent graduates, as well as experienced chemists or scientists with limited regulatory, compendial or pharmaceutical analysis background, make that transition, Pharmaceutical Analysis for Small Molecules is a concise, yet comprehensive introduction to the drug development process and analysis of chemically synthesized, small molecule drugs. It features contributions by distinguished experts in the field, including editor and author, Dr. Behnam Davani, an analytical chemist with decades of technical management and teaching experience in compendial, regulatory, and industry. This book provides an introduction to pharmaceutical analysis for small molecules (non-biologics) using commonly used techniques for drug characterization and performance tests. The driving force for industry to perform pharmaceutical analyses is submission of such data and supporting documents to regulatory bodies for drug approval in order to market their products. In addition, related required supporting studies including good laboratory/documentation practices including analytical instrument qualification are highlighted in this book. Topics covered include: Drug Approval Process and Regulatory Requirements (private standards)Pharmacopeias and Compendial Approval Process (public standards)Common methods in pharmaceutical analysis (typically compendial)Common Calculations for assays and impurities and other specific testsAnalytical Method Validation, Verification, TransferSpecifications including how to handle out of specification (OOS) and out of trend (OOT)Impurities including organic, inorganic, residual solvents and elemental impuritiesGood Documentation Practices for regulatory environmentManagement of Analytical LaboratoriesAnalytical Instrument Qualifications including IQ, OQ, PQ and VQ Due to global nature of pharmaceutical industry, other topics on both regulatory (ICH) and Compendial harmonization are also highlighted. Pharmaceutical Analysis for Small Molecules is a valuable working resource for scientists directly or indirectly involved with the drug development process, including analytical chemists, pharmaceutical scientists, pharmacists, and quality control/quality assurance professionals. It also is an excellent text/reference for graduate students in analytical chemistry, pharmacy, pharmaceutical and regulatory sciences.
(source: Nielsen Book Data)9781119121114 20170731
1 online resource
  • Entry to the Nanopharmacy Revolution. History: Potential, Challenges, and Future Development in Nanopharmaceutical Research and Industry / Albertina Ariën, Paul Stoffels
  • Nanoscale Drugs: A Key to Revolutionary Progress in Pharmacy and Healthcare / Simon Sebastian Raesch, Marina Poettler, Christoph Alexiou, Claus-Michael Lehr
  • The Emergence of Nanopharmacy: From Biology to Nanotechnology and Drug Molecules to Nanodrugs / Marilena Hadjidemetriou, Zahraa Al-Ahmady, Mariarosa Mazza, Kostas Kostarelos
  • Understanding and Characterizing Functional Properties of Nanoparticles / Ester Polo, Valentina Castagnola, Kenneth A Dawson
  • Omics-Based Nanopharmacy: Powerful Tools Toward Precision Medicine / Daniel Rosenblum, Dan Peer
  • Fundamentals of Nanotechnology in Pharmacy. Nanostructures in Drug Delivery / Salma Nabil Tammam, Alf Lamprecht
  • Characterization Methods: Physical and Chemical Characterization Techniques / Sven Even F Borgos
  • Nanoparticle Characterization Methods: Applications of Synchrotron and Neutron Radiation / Martha Brennich, Marité Cardenas, Hiram Castillo-Michel, Marine Cotte, V Trevor Forsyth, Michael Haertlein, Simon A J Kimber, Geraldine Le Duc, Edward P Mitchell, Adam Round, Murielle Salome, Michael Sztucki
  • Overview of Techniques and Description of Established Processes / Jan Henrik Finke, Michael Juhnke, Arno Kwade, Heike Bunjes
  • Nanopharmacy: Exploratory Methods for Polymeric Materials / Kuldeep Bansal, Luana Sasso, Hiteshri Makwana, Sahar Awwad, Steve Brocchini, Cameron Alexander
  • Overview and Presentation of Exploratory Methods for Manufacturing Nanoparticles/"Inorganic Materials" / Xavier Le Guevel
  • Scale-Up and cGMP Manufacturing of Nanodrug Delivery Systems for Clinical Investigations / Mostafa Nakach, Jean-René Authelin
  • Occupational Safety and Health / Thomas H Brock
  • Development of Nanopharmaceuticals. Micro- and Nano-Tools in Drug Discovery / Andreas Dietzel, Monika Leester-Schädel, Stephan Reichl
  • Computational Predictive Models for Nanomedicine / Marco Siccardi, Alessandro Schipani, Andrew Owen
  • Drug Targeting in Nanomedicine and Nanopharmacy: A Systems Approach / Jingwei Shao, Lisa McConnachie, Rodney JY Ho
  • Nanoparticle Toxicity: General Overview and Insights Into Immunological Compatibility / Marina A Dobrovolskaia
  • An Overview of Nanoparticle Biocompatibility for Their Use in Nanomedicine / Matthew SP Boyles, Leagh G Powell, Ali Kermanizadeh, Helinor J Johnston, Barbara Rothen-Rutishauser, Vicki Stone, Martin JD Clift
  • Translation to the Clinic: Preclinical and Clinical Pharmacology Studies of Nanoparticles
  • The Translational Challenge / Rachel Tyson, Leah Osae, Andrew J Madden, Andrew T Lucas, William C Zamboni
  • Regulatory Issues in Nanomedicines / Marisa Papaluca, Falk Ehmann, Ruben Pita, Dolores Hernan
  • Social Studies of Nanopharmaceutical Research / Michael Schillmeier
  • Pharmaceutical Applications of Nanomaterials. Nanoparticles for Imaging and Imaging Nanoparticles: State of the Art and Current Prospects / Thomas Maldiney, Nathalie Mignet
  • Nanoparticle-Based Physical Methods for Medical Treatments / Christine Ménager
  • Nanodrugs in Medicine and Healthcare: Oral Delivery / Alejandro Sosnik
  • Steroidal Nanodrugs Based on Pegylated Nanoliposomes Remote Loaded with Amphipathic Weak Acids Steroid Prodrugs as Anti-Inflammatory Agents / Keren Turjeman, Yechezkel Barenholz
  • Nanodrugs in Medicine and Healthcare: Pulmonary, Nasal and Ophthalmic Routes, and Vaccination / Christel C Müller-Goymann, Mukta Paranjpe
  • Neurodegenerative Diseases
  • Alzheimer's Disease / Maria Gregori, Francesca Re
  • The Nanopharmaceutical Market. A Practical Guide to Translating Nanomedical Products / Raj Bawa
  • Development and Commercialization of Nanocarrier-Based Drug Products / Marianne Ashford
  • Future Outlook of Nanopharmacy: Challenges and Opportunities / Dan Peer, Jean Cornier, Marcel Van de Voorde.
With its focus on concrete methods and recent advances in applying nanotechnology to develop new drug therapies and medical diagnostics, this book provides an overall picture of the field, from the fundamentals of nanopharmacy with the characterisation and manufacturing methods to the role of nanoparticles and substances. Actual examples of utilization include drug development issues, translation to the clinic, market prospects, and industrial commercialization aspects. The applications described are taken from cancer treatment as well as other major therapeutic areas, such as infectious diseases and dermatology. An in-depth discussion on safety, regulatory, and societal aspects rounds off the book. Written by a top team of editors and authors composed of the leading experts in Europe and the USA who have pioneered the field of nanopharmacy!.
(source: Nielsen Book Data)9783527800674 20170313
1 online resource : illustrations
  • 1. Introduction 2. 1-Substituted piperidines 3. 2-Substituted and 1,2-disubstituted piperidines 4. 3-Substituted and 1,3-disubstituted piperidines 5. 4-Substituted and 1,4-disubstituted piperidines 6. Piperidin-4-ylidene substituted tricyclic compounds 7. Piperidine-based non-fused biheterocycles with C-N and C-C couplingâ 8. Piperidine-based fused biheterocycles 9. Piperidine-based spiro fused biheterocycles 10. Classes of Piperidine Based Drugs.
  • (source: Nielsen Book Data)9780128051573 20170814
  • Synthesis of Piperidin-4-Ones by Dieckmann CondensationSynthesis of Piperidin-4-Ones by Miscellaneous Methods; Nucleophilic Addition Reactions to the Carbonyl Group of Piperidin-4-Ones; Nucleophilic Substitution Reactions Involving α-Carbon of Piperidin-4-Ones; Piperidin-3-Ones; Piperidin-2-Ones; 4-Cyano-4-Phenylpiperidines; References; 2. 1-Substituted Piperidines; 2.1 Derivatives of 1-Phenyl-3-(Piperidin-1-yl)Propan-1-ol; Trihexyphenidyl (2226); Biperiden (1329); Pridinol (157); Cycrimine (82); 2.2 Derivatives of 1-Phenyl-4-(Piperidin-1-yl)Butan-1-ol; Diphenidol (323); Pirmenol (234)
Piperidine-Based Drug Discovery outlines the complexities of Piperidine scaffold use in drug discovery, including derivative chemistry, structural properties, methods of synthesis and practical implementations. Piperidine scaffolds are the cornerstones of over 70 commercialized drugs (including multiple blockbusters). Designed as a guide for both experts and students working in this and related areas, it is hoped that this volume will encourage and inspire the continued design and development of novel pharmaceuticals based on Piperidine and its derivatives. Heterocyclic compounds are of central importance to medicinal chemistry, as demonstrated by the high percentage of marketable drugs that feature heterocyclic fragments in their structures. As starting points for drug discovery they offer a broad range of attractive properties, and a detailed understanding of the particular characteristics of each is of great benefit to researchers. The most commonly used heterocycle among US FDA approved pharmaceuticals, Piperidine is an extremely important building block in the synthesis of medicinal agents. This heterocycle and its derivatives exhibit a number of important functionalities and have been employed variously as CNS modulators, antiaggregants, anticoagulants, antihistamines, anti-cancer drugs and analgesics.
(source: Nielsen Book Data)9780128051573 20170814
400 pages : 50 b/w images ; cm.
  • Introduction. Phase I Oncology Trials. Exposure Response Analysis. Phase II Trials in Oncology. Selected Hurdles in Phase III Confirmatory Setting. Safety analysis. Quality of Life Data Analysis. Design and Analysis of Biosimilar Trials in Oncology. Regulatory Challenges.
  • (source: Nielsen Book Data)9781498772709 20171218
Oncology is a rapidly developing area in medical science. A significant investment in terms of costs, resources and time is required for oncology drug development. Understanding of the challenges at all stages is vital for a successful drug launching. The purpose of this book is to provide an overview and practical solutions to some of these challenges which are commonly observed during setting up, conducting and reporting of oncology studies. This book will cover a wide variety of topics related to common challenges in cancer clinical trials across different stages of drug development.
(source: Nielsen Book Data)9781498772709 20171218
1 online resource
  • Preface XIII List of Contributors XVII Part I HDAC Inhibitor Anticancer Drug Discovery 1 1 From DMSO to the Anticancer Compound SAHA, an Unusual Intellectual Pathway for Drug Design 3Ronald Breslow 1.1 Introduction 3 1.2 The Discovery of SAHA (vorinostat) 4 1.3 Clinical Trials 7 1.4 Follow-On Research - Selective HDAC Inhibitors 8 1.5 Conclusion 9 References 9 2 Romidepsin and the Zinc-Binding Thiol Family of Natural Product HDAC Inhibitors 13A. Ganesan 2.1 Histone Deacetylases as a Therapeutic Target 13 2.2 The Discovery and Development of Romidepsin 15 2.3 The Zinc-BindingThiol Family of Natural Product HDAC Inhibitors 18 2.4 Synthetic Analogues of the Zinc-BindingThiol Natural Products 21 2.5 Summary 23 References 24 3 The Discovery and Development of Belinostat 31Paul W. Finn, Einars Loza and Elisabeth Carstensen 3.1 Introduction 31 3.2 Discovery of Belinostat 32 3.2.1 Design Strategy 32 3.2.2 Medicinal Chemistry and SAR 34 3.3 Belinostat Biological Profiling 41 3.3.1 Mode of Action and HDAC Isoform Selectivity 41 3.3.2 Antiproliferative and Antitumor Activity 42 3.4 Formulation Development 44 3.5 Clinical Development 45 3.5.1 Clinical Studies Leading to Approval and Other Clinical Investigations 45 3.5.2 Pharmacokinetics 49 3.5.3 Safety and Tolerability 51 3.6 Conclusions 52 References 53 4 Discovery and Development of Farydak (NVP-LBH589, Panobinostat) as an Anticancer Drug 59Peter Atadja and Lawrence Perez 4.1 Target Identification: From p21Waf1 Induction to HDAC Inhibition 59 4.2 Program Flowchart Assays for Drug Discovery 61 4.3 Hit-To-Lead Campaign: Trichostatin A to LAK974 63 4.4 Lead Optimization: LAK974 to LAQ824 64 4.5 Profiling LAQ824 for Cancer Therapy 66 4.6 Preclinical Development of LAQ824 70 4.7 LAQ824 Follow-Up 72 4.8 Discovery of LBH589 73 4.9 Safety Profile for LBH589 74 4.10 Pan-HDAC Inhibition by LBH589 76 4.11 Cancer Cell-Specific Cytotoxicity of LBH589 76 4.11.1 Toxicity and Safety Studies with LBH589 78 4.11.2 Early Clinical Activity of LBH589 in CTCL 78 4.11.3 Large-Scale Cell Line Profiling to Discover Lineage-Specific LBH589-Sensitive Cancer Indications 79 4.11.4 Clinical Profiling ofHemeMalignancies for LBH589Activity 80 4.11.5 Phase II Study of Oral Panobinostat in Hodgkin Lymphoma 81 4.11.6 Phase IB Clinical Studies in MultipleMyeloma 82 4.11.7 Phase III Registration Study inRelapsed orRefractoryMyeloma 82 4.11.8 Conclusion and Future Perspective 83 References 85 5 Discovery and Development of HDAC Subtype Selective Inhibitor Chidamide: Potential Immunomodulatory Activity Against Cancers 89Xian-Ping Lu, Zhi-Qiang Ning, Zhi-Bin Li, De-Si Pan, Song Shan, Xia Guo, Hai-Xiang Cao, Jin-Di Yu and Qian-Jiao Yang 5.1 Introduction 89 5.1.1 Epigenetics and Cancer 89 5.1.2 Epigenetic Drugs 90 5.2 Discovery of Chidamide 93 5.2.1 Identification of Chemical Scaffold 93 5.2.2 Design and ScreeningNewSelective BenzamideHDACInhibitors 93 5.2.3 Molecular Docking of Chidamide with HDAC2 95 5.3 Molecular Mechanisms of Chidamide 97 5.3.1 Selectivity 97 5.3.2 Induction of Cell Cycle Arrest, Apoptosis and Differentiation of Tumour Cells 98 5.3.3 Reversal of Epithelial toMesenchymal Transition 99 5.3.4 Stimulation of Innate andAntigen-SpecificAntitumour Immunity 99 5.3.5 Multiplicity of Anticancer Mechanisms by Chidamide 100 5.4 Animal Studies 101 5.5 Clinical Development 101 5.5.1 Pharmacokinetics and Pharmacodynamics 101 5.5.2 Unmet Medical Needs for PeripheralT-Cell Lymphoma (PTCL) 102 5.5.3 Efficacy Assessment of Chidamide in PTCL Patients 103 5.5.4 Safety Profile 105 5.6 Future Perspective 106 References 108 Part II Steroidal CYP17 Inhibitor Anticancer Drug Discovery 115 6 Abiraterone Acetate (Zytiga): AnInhibitor of CYP17 as a Therapeutic for Castration-Resistant Prostate Cancer 117Gabriel M. Belfort, Boyd L. Harrisonand Gabriel Martinez Botella 6.1 Introduction 117 6.2 Discovery and Structure-Activity Relationships (SAR) 119 6.3 Preclinical Characterisation of Abiraterone and Abiraterone Acetate 126 6.3.1 Pharmacology 126 6.3.2 Pharmacokinetics 127 6.3.3 Toxicology 128 6.4 Physical Characterisation 129 6.5 Clinical Studies 129 6.6 Conclusion 132 References 133 Part III Anti-Infective Drug Discoveries 137 7 Discovery of Delamanid for the Treatment of Multidrug-Resistant Pulmonary Tuberculosis 139Hidetsugu Tsubouchi, Hirofumi Sasaki, Hiroshi Ishikawa and Makoto Matsumoto 7.1 Introduction 139 7.2 Synthesis Strategy 140 7.3 Synthesis Route 142 7.4 Screening Evaluations 145 7.4.1 Screening Procedure 145 7.4.2 Screening Results 146 7.4.3 Selection of a Compound Candidate for Preclinical Tests 151 7.5 Preclinical Data of Delamanid 151 7.5.1 Antituberculosis Activity 151 7.5.2 Mechanism of Action 153 7.5.3 Pharmacokinetics 153 7.5.4 Genotoxicity and Carcinogenicity 154 7.5.5 Preclinical Therapeutic Efficacy 154 7.6 Clinical Data of Delamanid 155 7.6.1 Clinical Pharmacokinetics 155 7.6.2 Drug-Drug Interactions 156 7.6.3 Cardiovascular Safety 156 7.6.4 Clinical Therapeutic Efficacy 156 7.6.5 Other Clinical Trials 157 7.7 Future Priorities and Conclusion 158 References 159 8 Sofosbuvir: The Discovery of a Curative Therapy for the Treatment of Hepatitis C Virus 163Michael J. Sofia 8.1 Introduction 163 8.2 Discussion 165 8.2.1 Target Rationale: HCVNS5BRNA-Dependent RNA Polymerase 165 8.2.2 Rationale andDesign of a Liver Targeted Nucleotide Prodrug 168 8.2.3 Prodrug Optimization and Preclinical Evaluation 171 8.2.4 Prodrug Metabolism 175 8.2.5 Clinical Proof of Concept of a Liver Targeted Nucleotide Prodrug 176 8.2.6 The Single Diastereomer: Sofosbuvir 176 8.2.7 Sofosbuvir Preclinical Profile 177 8.2.8 Sofosbuvir Clinical Studies 179 8.2.9 Viral Resistance 182 8.3 Conclusion 183 References 184 Part IV Central Nervous System (CNS) Drug Discovery 189 9 The Discovery of the Antidepressant Vortioxetine and the Research that Uncovered Its Potential to Treat the Cognitive Dysfunction Associated with Depression 191Benny Bang-Andersen, Christina Kurre Olsen and Connie Sanchez 9.1 Introduction 191 9.2 The Discovery of Vortioxetine 192 9.3 Clinical Development of Vortioxetine for theTreatment ofMDD 200 9.4 UncoveringVortioxetine's Potential toTreat Cognitive Dysfunction in Patients with MDD 201 9.4.1 Early Preclinical Evidence that Differentiated Vortioxetine from Other Antidepressants 201 9.4.2 Vortioxetine's Primary Targets and Their Putative Impact on Cognitive Function - Early Preclinical Data 202 9.4.3 Hypothesis-Generating Clinical Study of Vortioxetine's Effects on Cognitive Symptoms in Elderly Patients with MDD 203 9.4.4 Substantiation of a Mechanistic Rationale for the Procognitive Effects of Vortioxetine in Preclinical Models and Its Differentiation from SSRIs and SNRIs 204 9.4.5 Confirmation of the Cognitive Benefits of Vortioxetine in Two Large Placebo-Controlled Studies in Adults with MDD 205 9.4.6 Additional Translational Evidence of the Effect of Vortioxetine on Brain Activity During Cognitive Performance 208 9.5 Conclusion 208 References 210 Part V Antiulcer Drug Discovery 215 10 Discovery of Vonoprazan Fumarate (TAK-438) as a Novel, Potent and Long-Lasting Potassium-Competitive Acid Blocker 217Haruyuki Nishida 10.1 Introduction 217 10.2 Limitations of PPIs and the Possibility of P-CABs 218 10.3 Exploration of Seed Compounds 220 10.4 Lead Generation from HTS Hit Compound 1 220 10.5 Analysis of SAR and Structure-Toxicity Relationship for Lead Optimization 223 10.6 Selection of Vonoprazan Fumarate (TAK-438) as a Candidate Compound 224 10.7 Preclinical Study of TAK-438 226 10.8 Clinical Study of TAK-438 228 10.9 Discussion 229 10.10 Conclusion 230 References 232 Part VI Cross-Therapeutic Drug Discovery (Respiratory Diseases/Anticancer) 235 11 Discovery and Development of Nintedanib: A Novel Antiangiogenic and Antifibrotic Agent 237Gerald J. Roth, Rudolf Binder, Florian Colbatzky, Claudia Dallinger, Rozsa Schlenker-Herceg, Frank Hilberg, Lutz Wollin, John Park, Alexander Pautsch and Rolf Kaiser 11.1 Introduction 237 11.2 Structure-Activity Relationships of Oxindole Kinase Inhibitors and the Discovery of Nintedanib 238 11.3 Structural Research 244 11.4 Preclinical Pharmacodynamic Exploration 246 11.4.1 Kinase Inhibition Profile of Nintedanib 246 11.4.2 Oncology, Disease Pathogenesis and Mechanism of Action 246 11.4.3 Idiopathic Pulmonary Fibrosis, Disease Pathogenesis andMechanism of Action 249 11.5 Nonclinical Drug Metabolism and Pharmacokinetics 250 11.6 Clinical Pharmacokinetics 251 11.7 Toxicology 252 11.8 Phase III Clinical Data 253 11.8.1 Efficacy and Safety of Nintedanib in IPF 253 11.8.2 Efficacy and Safety of Nintedanib in NSCLC 255 11.9 Other Oncology Studies 256 11.10 Conclusions 257 References 258 Index 267.
  • (source: Nielsen Book Data)9783527800346 20170313
  • PART I. HDAC Inhibitor Anticancer Drug Discovery FROM DMSO TO THE ANTICANCER COMPOUND SAHA, AN UNUSUAL INTELLECTUAL PATHWAY FOR DRUG DESIGN Introduction The Discovery of SAHA (vorinostat) Clinical Trials Follow-On Research - Selective HDAC Inhibitors Conclusion ROMIDEPSIN AND THE ZINC-BINDING THIOL FAMILY OF NATURAL PRODUCT HDAC INHIBITORS Histone Deacetylases as a Therapeutic Target The Discovery and Development of Romidepsin The Zinc-Binding Thiol Family of Natural Product HDAC Inhibitors Synthetic Analogues of the Zinc-Binding Thiol Natural Products Summary THE DISCOVERY AND DEVELOPMENT OF BELINOSTAT Introduction Discovery of Belinostat Belinostat Biological Profiling Formulation Development Clinical Development Conclusions DISCOVERY AND DEVELOPMENT OF FARYDAK (NVP-LBH589, PANOBINOSTAT) AS AN ANTICANCER DRUG Target Identification: From p21Wafl Induction to HDAC Inhibition Program Flowchart Assays for Drug Discovery Hit-To-Lead Campaign: Trichostatin A to LAK974 Lead Optimization: LAK974 to LAQ824 Profiling LAQ824 for Cancer Therapy Preclinical Development of LAQ824 LAQ824 Follow-Up Discovery of LBH589 Safety Profile for LBH589 Pan-HDAC Inhibition by LBH589 Cancer Cell-Specific Cytotoxicity of LBH589 DISCOVERY AND DEVELOPMENT OF HDAC SUBTYPE SELECTIVE INHIBITOR CHIDAMIDE: POTENTIAL IMMUNOMODULATORY ACTIVITY AGAINST CANCER Introduction Discovery of Chidamide Molecular Mechanisms of Chidamide Animal Studies Clinical Development Future Perspective PART II. Steroidal CYP17 Inhibitor Anticancer Drug Discovery ABIRATERONE ACETATE (ZYTIGA): AN INHIBITOR OF CYP17 AS A THERAPEUTIC FOR CASTRATION-RESISTANT PROSTATE CANCER Introduction Discovery and Structure-Activity Relationships (SAR) Preclinical Characterisation of Abiraterone Physical Characterisation Clinical Studies Conclusion PART III. Anti-Infective Drug Discoveries DISCOVERY OF DELAMANID FOR THE TREATMENT OF MULTIDRUG-RESISTANT PULMONARY TUBERCULOSIS Introduction Synthesis Strategy Synthesis Route Screening Evaluations Preclinical Data of Delamanid Clinical Data of Delamanid Future Priorities and Conclusion SOFOSBUVIR: THE DISCOVERY OF A CURATIVE THERAPY FOR THE TREATMENT OF HEPATITIS C VIRUS Introduction Discussion Conclusion PART IV. Central Nervous System (CNS) Drug Discovery THE DISCOVERY OF THE ANTIDEPRESSANT VORTIOXETINE AND THE RESEARCH THAT UNCOVERED ITS POTENTIAL TO TREAT THE COGNITIVE DYSFUNCTION ASSOCIATED WITH DEPRESSION Introduction The Discovery of Vortioxetine Clinical Development of Vortioxetine for the Treatment of MDD Uncovering Vortioxetine's Potential to Treat Cognitive Dysfunction in Patients with MDD Conclusion PART V. Antiulcer Drug Discovery DISCOVERY OF VONOPRAZAN FUMARATE (TAK-438) AS A NOVEL, POTENT AND LONG-LASTING POTASSIUM-COMPETITIVE ACID BLOCKER Introduction Limitations of PPIs and the Possibility of P-CABs Exploration of Seed Compounds Lead Generation from HTS Hit Compound 1 Analysis of SAR and Structure-Toxicity Relationship for Lead Optimization Selection of Vonoprazan Fumarate (TAK-438) as a Candidate Compound Preclinical Studiy of TAK-438 Clinical Study of TAK-438 Discussion Conclusion PART VI. Cross-Therapeutic Drug Discovery (Respiratory Diseases/Anti-Cancer) DISCOVERY AND DEVELOPMENT OF NINTEDANIB: A NOVEL ANTIANGIOGENIC AND ANTIFIBROTIC AGENT Introduction Structure-Activity Relationships of Oxindole Kinase Inhibitors and the Discovery of Nintedanib Structural Research Preclinical Pharmacodynamic Exploration Nonclinical Drug Metabolism and Pharmacokinetics Clinical Pharmacokinetics Toxicology Phase III Clinical Data Other Oncology Studies Conclusions Index.
  • (source: Nielsen Book Data)9783527800322 20170313
Retaining the successful approach found in the previous volume in this series, the inventors and primary developers of drugs that successfully made it to market tell the story of the drug's discovery and development and relate the often twisted route from the first candidate molecule to the final marketed drug. 11 selected case studies describe recently introduced drugs that have not been previously covered in textbooks or general references. These range across six different therapeutic fields and provide a representative cross-section of the current drug development efforts. Backed by copious data and chemical information, the insight and experience of the contributors makes this one of the most useful training manuals that a junior medicinal chemist can hope to find and has won the support and endorsement of IUPAC.
(source: Nielsen Book Data)9783527800346 20170313
1 online resource (vii, 158 pages) : illustrations (some color).
  • The Future of Boron in Medicinal Chemistry: Therapeutic and Diagnostic Applications.- Drug Design Based on the Carbon/Silicon Switch Strategy.- Silicon Mimics of Unstable Carbon.- Selenium-Functionalized Molecules (SeFMs) as Potential Drugs and Nutritional Supplements.- Selenium-Based Drug Design.
  • (source: Nielsen Book Data)9783319277400 20160704
Medicinal chemistry is both science and art. The science of medicinal chemistry offers mankind one of its best hopes for improving the quality of life. The art of medicinal chemistry continues to challenge its practitioners with the need for both intuition and experience to discover new drugs. Hence sharing the experience of drug research is uniquely beneficial to the field of medicinal chemistry. Drug research requires interdisciplinary team-work at the interface between chemistry, biology and medicine. Therefore, the topic-related series Topics in Medicinal Chemistry covers all relevant aspects of drug research, e.g. pathobiochemistry of diseases, identification and validation of (emerging) drug targets, structural biology, drugability of targets, drug design approaches, chemogenomics, synthetic chemistry including combinatorial methods, bioorganic chemistry, natural compounds, high-throughput screening, pharmacological in vitro and in vivo investigations, drug-receptor interactions on the molecular level, structure-activity relationships, drug absorption, distribution, metabolism, elimination, toxicology and pharmacogenomics. In general, special volumes are edited by well known guest editors.
(source: Nielsen Book Data)9783319277400 20160704
online resource (xi, 233 pages) ; 26 cm
  • Foreword: The future of drug discovery and healthcare / by Eric E. Schadt
  • 1. The art and science of the drug discovery pipeline / William T. Loging
  • 2. Computational approaches to drug target identification / Thomas B. Freeman and Pek Lum
  • 3. Understanding human disease knowledge through text mining / Raul Rodriguez-Esteban
  • 4. Integrating translational biomarkers into drug development / Jonathan Phillips
  • 5. Computational phenotypic assessment of small molecules in drug discovery / William T. Loging and Thomas B. Freeman
  • 6. Data visualization and the DDP process / Ke Xu
  • 7. Information visualization-important IT considerations / Telmo Silva
  • 8. Example of computational biology at the new drug application (NDA) and regulatory approval stages / William T. Loging, Marilyn Lewis, Bryn Williams-Jones, and Roy Mansfield
  • 9. Clinical trial failures and drug repositioning / Mark Crawford and Jeff Handler
  • Appendix I. Additional knowledge-based analysis approaches / Raul Rodriguez-Esteban
  • Appendix II. Open source tools and public data sources / Yirong Wang and William T. Loging.
"Computational biology drives discovery through its use of high-throughput informatics approaches. This book provides a road map of the current drug development process and how computational biology approaches play a critical role across the entire drug discovery pipeline. Through the use of previously unpublished, real-life case studies the impact of a range of computational approaches are discussed at various phases of the pipeline. Additionally, a focus section provides innovative visualisation approaches, from both the drug discovery process as well as from other fields that utilise large datasets, recognising the increasing use of such technology. Serving the needs of early career and more experienced scientists, this up-to-date reference provides an essential introduction to the process and background of drug discovery, highlighting how computational researchers can contribute to that pipeline"--Provided by publisher.
Medical Library (Lane)
xi, 233 pages, 8 unnumbered pages of plates : illustrations (some color) ; 26 cm
  • Foreword-- Preface: the future of drug discovery and health care Eric Schadt-- 1. The art and science of the Drug Discovery Pipeline (DDP) William T. Loging-- 2. Computational approaches to drug target identification Thomas B. Freeman and Pek Lum-- 3. Understanding human disease knowledge through text mining Raul Rodriguez-Esteban-- 4. Integrating translational biomarkers into drug development Jonathan Phillips-- 5. Computational phenotypic assessment of small molecules in drug discovery William T. Loging and Thomas B. Freeman-- 6. Data visualization and the DDP process Ke Xu-- 7. Information visualization - important IT considerations Telmo Silva-- 8. The New Drug Application (NDA) and regulatory approval stages William T. Loging, Marilyn Lewis, Bryn Williams-Jones and Roy Mansfield-- 9. Clinical trial failures and drug repositioning Mark Crawford and Jeff Handler-- Appendix I. Additional knowledge-based analysis approaches Raul Rodriguez-Esteban-- Appendix II. Open source tools and public data sources Yirong Wang and William T. Loging-- Index.
  • (source: Nielsen Book Data)9780521768009 20160711
Computational biology drives discovery through its use of high-throughput informatics approaches. This book provides a road map of the current drug development process and how computational biology approaches play a critical role across the entire drug discovery pipeline. Through the use of previously unpublished, real-life case studies the impact of a range of computational approaches are discussed at various phases of the pipeline. Additionally, a focus section provides innovative visualisation approaches, from both the drug discovery process as well as from other fields that utilise large datasets, recognising the increasing use of such technology. Serving the needs of early career and more experienced scientists, this up-to-date reference provides an essential introduction to the process and background of drug discovery, highlighting how computational researchers can contribute to that pipeline.
(source: Nielsen Book Data)9780521768009 20160711
Science Library (Li and Ma)
1 online resource (298 pages) : illustrations, charts
1 online resource (2 volumes) : illustrations (some color).
1 online resource.
  • Aims and Objectives
  • Materials and Methods
  • Development and Validation of High-Throughput Crystallisation and Analysis (HTCAA) Methodology for Physical Form Screening
  • Predicting Crystallisability of Organic Molecules Using Statistical Modelling Techniques
  • Exploring the Crystal Structure Landscape of Olanzapine
  • Exploring the Physical Form Landscape of Clozapine, Amoxapine and Loxapine
  • Conclusions and Further Work.
This thesis investigates a range of experimental and computational approaches to the discovery of solid forms. It illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, while also highlighting the molecular factors that inhibit or promote crystallization. Furthermore, readers will gain a better understanding of the key factors underpinning solid-state structure and diversity. A major part of the thesis highlights experimental work carried out on two structurally very similar compounds, while another main section examines the influence of small changes in structure and substituents on solid-state structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modelling tools. In closing, the author presents a fast validated method for solid-state form screening using Raman microscopy on multi-well plates to explore the experimental crystallization space.
online resource (xviii, 771 pages)
  • Healthcare provision in an aging society: US perspective
  • Healthcare provision in an aging society: European perspective
  • Healthcare provision in an aging society: Japanese perspective
  • Old, Very Old, and Frail
  • Age and the process of aging
  • Comprehensive Geriatric Assessment
  • Patients' clinical characteristics, disease, experience, and perception
  • Ethical considerations in performing clinical trials in and for older people
  • Patient reported outcomes from a clinical to a therapeutic tool
  • Pharmacokinetic and Pharmacodynamic Considerations in the Elderly Population
  • The Expectation of a Treatment Model: A framework for adherence and Effectiveness
  • Pharmacoepidemiology and pharmacovigilance for safety and efficacy in older people
  • Defining patient centric drug product design and its impact on improving safety and effectiveness
  • Dosing considerations in older adults
  • Oral Drug Product Use in the Elderly Patient Population
  • Drug product development for older adults
  • multiparticulate formulations
  • Considerations for topical and transdermal drug delivery in older adults
  • Injectable drug delivery for older patients
  • Inhalation and Nasal Formulations
  • Ophthalmic drug development and the elderly
  • Developing drug administration devices for use by older patients
  • Manufacturing Platforms for Patient-Centric Drug Products
  • Novel Manufacturing Technologies for the Production of Patient-Centric Drug Products
  • Prescribing to Older Adults
  • Multimorbidity and Polypharmacy
  • Vaccination in Older Adults
  • Medication Reviews in Older Adults
  • The Personalization of Drug therapy for Elderly patients
  • Importance of Clinical Nutrition in Therapy to Older Adults
  • Managing drug therapy of older patients in primary and secondary care
  • Medication adherence and monitoring
  • Medication compounding in the provision of drug therapy
  • Geriatric Pharmacotherapy: Optimisation through integrated approach in the hospital setting
  • European Medicines Agency (EMA): Regulatory perspectives on geriatric medicines
  • Views on the Therapeutic Needs of Older Adults
  • Future Perspectives in drug therapy of older people
  • Opportunities in drug product development in an aging population.
Medical Library (Lane)


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