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Book
online resource (xxiv, 429 pages) ; 24 cm
Medical Library (Lane)
Book
1 online resource (xii, 488 pages) : illustrations (some color).
  • Computer-aided drug design : an overview / Alan Talevi
  • Prediction of human drug targets and their interactions using machine learning methods : current and future perspectives / Abhigyan Nath, Priyanka Kumari, and Radha Chaube
  • Practices in molecular docking and structure-based virtual screening / Ricardo N. dos Santos, Leonardo G. Ferreira, and Adriano D. Andricopulo
  • Phylogenetic and other conservation-based approaches to predict protein functional sites / Heval Atas, Nurcan Tuncbag, and Tunca Dogan
  • De novo design of ligands using computational methods / Venkatesan Suryanarayanan, Umesh Panwar, Ishwar Chandra, and Sanjeev Kumar Singh
  • Molecular dynamics simulation and prediction of druggable binding sites / Tianhua Feng and Khaled Barakat
  • Virtual ligand screening using PL-PatchSurfer2, a molecular surface-based protein-ligand docking method / Woong-Hee Shin and Daisuke Kihara
  • Fragment-based ligand designing / Shashank P. Katiyar, Vidhi Malik, Anjani Kumari, Kamya Singh, and Durai Sundar
  • Molecular dynamics as a tool for virtual ligand screening / Gregory Menchon, Laurent Maveyraud, and Georges Czaplicki
  • Building molecular interaction networks from microarray data for drug target screening / Sze Chung Yuen, Hongmei Zhu, and Siu-wai Leung
  • Absolute alchemical free energy calculations for ligand binding : a beginner's guide / Matteo Aldeghi, Joseph P. Bluck, and Philip C. Biggin
  • Evaluation of protein-ligand docking by cyscore / Yang Cao, Wentao Dai, and Zhichao Miao
  • Molecular dynamics simulations of protein-drug complexes : a computational protocol for investigating the interactions of small-molecule therapeutics with biological targets and biosensors / Jodi A. Hadden and Juan R. Perilla
  • Prediction and optimization of pharmacokinetic and toxicity properties of the ligand / Douglas E. V. Pires, Lisa M. Kaminskas, and David B. Ascher
  • Protein-protein docking in drug design and discovery / Agnieszka A. Kaczor, Damian Bartuzi, Tomasz Maciej Stepniewski, Dariusz Matosiuk, and Jana Selent
  • Automated inference of chemical discriminants of biological activity / Sebastian Raschka, Anne M. Scott, Mar Huertas, Weiming Li, and Leslie A. Kuhn
  • Computational exploration of conformational transitions in protein drug targets / Benjamin P. Cossins, Alastair D. G. Lawson, and Jiye Shi
  • Applications of the NRGsuite and the molecular docking software FlexAID in computational drug discovery and design / Louis-Philippe Morency, Francis Gaudreault, and Rafael Najmanovich
  • Calculation of thermodynamic properties of bound water molecules / Ying Yang, Amr H. A. Abdallah, and Markus A. Lill
  • Enhanced molecular dynamics methods applied to drug design projects / Sonia Ziada, Abdennour Braka, Julien Diharce, Samia Aci-Seche, and Pascal Bonnet
  • AGGRESCAN3D : toward the prediction of the aggregation propensities of protein structures / Jordi Pujols, Samuel Pena-Diaz, and Salvador Ventura
  • Computational analysis of solvent inclusion in docking studies of protein-glycosaminoglycan systems / Sergey A. Samsonov
  • Understanding G protein-coupled receptor allostery via molecular dynamics simulations : implications for drug discovery / Shaherin Basith, Yoonji Lee, and Sun Choi
  • Identification of potential microRNA biomarkers by meta-analysis / Hongmei Zhu and Siu-wai Leung.
This volume details methods and techniques for identification of drug targets, binding sites prediction, high-throughput virtual screening, and prediction of pharmacokinetic properties using computer based methodologies. Chapters guide readers through techniques of the available computational tools, developing prediction models for drug target prediction and de novo design of ligands, structure based drug designing, fragment-based drug designing, molecular docking, and scoring functions for assessing protein-ligand docking protocols. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computational Drug Discovery and Design aims to provide protocols for the use of bioinformatics tools in drug discovery and design.
(source: Nielsen Book Data)9781493977550 20180514
Book
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.
Book
1 online resource : illustrations.
  • 1. Bilayer-Based Drug Carriers: Liposomes, polymersomes and niosomes 2. Recent advances in micellar-like polyelectrolyte/protein complexes: design and development of biopharmaceuticals 3. Calixarene-based micelles: properties and applications 4. Preparation of Janus Nanoparticles and its Application in Drug Delivery 5. Supramolecular design of hydrophobic and hydrophilic polymeric nanoparticles 6. Cationic Polyelectrolyte-Biopolymer Complex Hydrogel Particles for Drug Delivery 7. Smart micelleplexes: An overview of a promising and potential nanocarrier for alternative therapies 8. Polymeric Micelles as a Versatile Tool in Oral Chemotherapy 9. Mixed micelles as drug delivery nanocarriers 10. Amphiphilic block copolymers based micelles for drug delivery 11. Synthesis and evolution of polymeric nanoparticles: development of an improved gene delivery system 12. Protein and drug imprinted nanostructures as controlled delivery tools 13. Application of Complex Coacervates in Controlled Delivery 14. Hydrogels: biomedical uses 15. Development of nanocapsules derived from viral capsid proteins for medical applications 16. Layer-by-Layer coated drug-core nanoparticles as versatile delivery platforms 17. Effect of a-cyclodextrin Nanoparticles on the Structure of Iodine Complexes with Polypeptides and Alkali Metal Halogenides and on the Mechanisms of their Anti-HIV and Anti-cancer Activity 18. Nanocarriers for the delivery of Temozolomide in the treatment of Gliobastoma: A review.
  • (source: Nielsen Book Data)9780128136270 20180213
Design and Development of New Nanocarriers focuses on the design and development of new nanocarriers used in pharmaceutical applications that have emerged in recent years. In particular, the pharmaceutical uses of microfluidic techniques, supramolecular design of nanocapsules, smart hydrogels, polymeric micelles, exosomes and metal nanoparticles are discussed in detail. Written by a diverse group of international researchers, this book is a valuable reference resource for those working in both biomaterials science and the pharmaceutical industry.
(source: Nielsen Book Data)9780128136270 20180213
Book
online resource (xxvi, 741 pages) : illustrations.
  • 1. Vesicle-based drug carriers: Liposomes, polymersomes, and niosomes
  • 2. Recent advances in micellar-like polyelectrolyte/protein complexes: Design and development of biopharmaceutical vehicles
  • 3.Calixarene-based micelles: Properties and applications
  • 4. Preparation of Janus nanoparticles and its application in drug delivery
  • 5. Supramolecular design of hydrophobic and hydrophilic polymeric nanoparticles
  • 6. Cationic polyelectrolyte-biopolymer complex hydrogel particles for drug delivery
  • 7. Smart micelleplexes: An overview of a promising and potential nanocarrier for alternative therapies
  • 8. Polymeric micelles as a versatile tool in oral chemotherapy
  • 9. Mixed micelles as drug delivery nanocarriers
  • 10. Amphiphilic block copolymers-based micelles for drug delivery
  • 11. Synthesis and evolution of polymeric nanoparticles: Development of an improved gene delivery system
  • 12. Therapeutic protein and drug imprinted nanostructures as controlled delivery tools
  • 13. Application of complex coacervates in controlled delivery
  • 14. Hydrogels: Biomedical uses
  • 15. Technologies that generate and modify virus-like particles for medical diagnostic and therapy purposes
  • 16. Layer-by-Layer coated drug-core nanoparticles as versatile delivery platforms
  • 17. Effect of α-dextrin nanoparticles on the structure of iodine complexes with polypeptides and alkali metal halogenides, and on the mechanisms of their anti-human immunodeficiency virus and anticancer activity
  • 18. Nanocarriers for the delivery of temozolomide in the treatment of glioblastoma: A review.
Design and Development of New Nanocarriers focuses on the design and development of new nanocarriers used in pharmaceutical applications that have emerged in recent years. In particular, the pharmaceutical uses of microfluidic techniques, supramolecular design of nanocapsules, smart hydrogels, polymeric micelles, exosomes and metal nanoparticles are discussed in detail. Written by a diverse group of international researchers, this book is a valuable reference resource for those working in both biomaterials science and the pharmaceutical industry.
Medical Library (Lane)
Book
online resource.
  • Introduction. Polypharmacology in Drug Discovery / Oscar Méndez-Lucio, J Jesús Naveja, Hugo Vite-Caritino, Fernando D Prieto-Martínez, José L Medina-Franco
  • Selectivity of Marketed Drugs. Kinase Inhibitors / Peng Wu, Michael Givskov, Thomas E Nielsen
  • Repositioning of Drug - New Indications for Marketed Drugs / Ren Kong, Stephen T Wong
  • Discovery Technologies for Drug Repurposing / Naiem T Issa, Stephen W Byers, Sivanesan Dakshanamurthy
  • Unselective Drugs in Drug Discovery. Personalized Medicine / Christian Noe, Volker Baumann
  • Drug Discovery Strategies for the Generation of Multitarget Ligands against Neglected Tropical Diseases / Annachiara Gandini, Federica Prati, Elisa Uliassi, Maria L Bolognesi
  • Designing Approaches to Multitarget Drugs / Luca Costantino, Daniela Barlocco
  • The Linker Approach / Daniel Merk, Manfred Schubert-Zsilavecz
  • Merged Multiple Ligands / Hongming Chen, Udo Bauer, Ola Engkvist
  • Pharmacophore Generation for Multiple Ligands / Norbert Handler
  • Cellular Assays / Ye Fang
  • Therapeutic Areas for Designed Multiple Ligands. Developing Serotonergic Antidepressants Acting on More Than the Serotonin Transporter / Gerard J Marek
  • Multiple Ligands Targeting the Angiotensin System for Hypertension / Agustin Casimiro-Garcia
  • Multiple Peroxisome Proliferator-Activated Receptor-Based Ligands / Dmytro Kukhtar, Miquel Mulero, Raul Beltrán-Debón, Cristina Valls, Gerard Pujadas, Santiago Garcia-Vallve
  • Antibiotics / Jean-Philippe Surivet, Philippe Panchaud
  • Multiple Ligands in Neurodegenerative Diseases / Julien Lalut, Christophe Rochais, Patrick Dallemagne.
Medical Library (Lane)
Book
1 online resource.
  • PART I. INTRODUCTION Polypharmacology in Drug Discovery PART II. SELECTIVITY OF MARKTETED DRUGS Kinase Inhibitors New Indications for Marketed Drugs Discovery Technologies of New Indications PART III. FIXED-DOSE COMBINATIONS The Growing Market of Fixed-Dose Combinations PART IV. UNSELECTIVE DRUGS IN DRUG DISCOVERY The Growing Importance of Individualising Drugs Drug Discovery Strategies for the Generation of Multi-Target Ligands against Neglected Tropical Diseases Designing-In Approach The Linker Approach (Drug-Conjugates) Merged Multiple Ligands Pharmacophore Generation of Multiple Ligands Cellular Assays PART V. THERAPEUTIC AREAS FOR DESIGNED MULTIPLE LIGANDS 5HT Transporter-Based Multiple Ligands for Depression Multiple Ligands Targeting the Angiotensin System for Hypertension PPAR-Based Multiple Ligands for Metabolic Disease Antibiotics Multiple Ligands in Cancer Therapy Multiple Ligands in Neurodegenerative Diseases.
  • (source: Nielsen Book Data)9783527674411 20180618
The book provides a current overview and comprehensive compilation for medicinal chemists that discusses the effects of aiming for multiple targets on the entire drug development process. The result is a broad survey of current and future strategies for drug selectivity in medicinal chemistry with theoretical but also practical aspects. Different strategies are presented and evaluated, such as various design approaches, merged multiple ligands, discovery technologies and a broad range of successful examples of unselective drugs taken from all major disease areas. With its wide-ranging view of an emerging new paradigm in drug development, this handbook is of prime importance for every medicinal and pharmaceutical chemist.
(source: Nielsen Book Data)9783527674411 20180618
Book
online resource (xxvi, 749 pages) : illustrations
Natural Products and Drug Discovery: An Integrated Approach provides an applied overview of the field, from traditional medicinal targets, to cutting-edge molecular techniques. Natural products have always been of key importance to drug discovery, but as modern techniques and technologies have allowed researchers to identify, isolate, extract and synthesize their active compounds in new ways, they are once again coming to the forefront of drug discovery. Combining the potential of traditional medicine with the refinement of modern chemical technology, the use of natural products as the basis for drugs can help in the development of more environmentally sound, economical, and effective drug discovery processes. Natural Products & Drug Discovery: An Integrated Approach reflects on the current changes in this field, giving context to the current shift and using supportive case studies to highlight the challenges and successes faced by researchers in integrating traditional medicinal sources with modern chemical technologies. It therefore acts as a useful reference to medicinal chemists, phytochemists, biochemists, pharma R&D professionals, and drug discovery students and researchers.
Medical Library (Lane)
Book
1 online resource.
  • Front Matter
  • Introduction to Quality by Design (QbD) / Bruce Davis, Walkiria S Schlindwein
  • Quality Risk Management (QRM) / Noel Baker
  • Quality Systems and Knowledge Management / Siegfried Schmitt
  • Quality by Design (QbD) and the Development and Manufacture of Drug Substance / Gerry Steele
  • The Role of Excipients in Quality by Design (QbD) / Brian Carlin
  • Development and Manufacture of Drug Product / Mark Gibson, Alan Carmody, Roger Weaver
  • Design of Experiments / Martin Owen, Ian Cox
  • Multivariate Data Analysis (MVDA) / Claire Beckett, Lennart Eriksson, Erik Johansson, Conny Wikström
  • Process Analytical Technology (PAT) / Line Lundsberg-Nielsen, Walkiria S Schlindwein, Andreas Berghaus
  • Analytical Method Design, Development, and Lifecycle Management / Joe Sousa, David Holt, Paul A Butterworth
  • Manufacturing and Process Controls / Mark Gibson
  • Regulatory Guidance / Siegfried Schmitt, Mustafa A Zaman
  • Index
  • Supplemental Images.
A practical guide to Quality by Design for pharmaceutical product development Pharmaceutical Quality by Design: A Practical Approach outlines a new and proven approach to pharmaceutical product development which is now being rolled out across the pharmaceutical industry internationally. Written by experts in the field, the text explores the QbD approach to product development. This innovative approach is based on the application of product and process understanding underpinned by a systematic methodology which can enable pharmaceutical companies to ensure that quality is built into the product. Familiarity with Quality by Design is essential for scientists working in the pharmaceutical industry. The authors take a practical approach and put the focus on the industrial aspects of the new QbD approach to pharmaceutical product development and manufacturing. The text covers quality risk management tools and analysis, applications of QbD to analytical methods, regulatory aspects, quality systems and knowledge management. In addition, the book explores the development and manufacture of drug substance and product, design of experiments, the role of excipients, multivariate analysis, and include several examples of applications of QbD in actual practice. This important resource: Covers the essential information about Quality by Design (QbD) that is at the heart of modern pharmaceutical development Puts the focus on the industrial aspects of the new QbD approach Includes several illustrative examples of applications of QbD in practice Offers advanced specialist topics that can be systematically applied to industry Pharmaceutical Quality by Design offers a guide to the principles and application of Quality by Design (QbD), the holistic approach to manufacturing that offers a complete understanding of the manufacturing processes involved, in order to yield consistent and high quality products.
(source: Nielsen Book Data)9781118895207 20180618
Book
1 online resource.
  • PART I: GENERAL ASPECTS Small molecule drugs and biologics Patenting antibodies PART II: DRUG CLASSES Androgen Antagonists Kinase Inhibitors PART III: CASE HISTORIES Blinatumomab Ceritinib Daratumumab Obeticholic acid Obinutuzumab Omarigliptin Opicapone Osimertinib Pitolisant Safinamide Trifluridine and Tipiracilhydrochloride.
  • (source: Nielsen Book Data)9783527808663 20180618
With its focus on drugs so recently introduced that they have yet to be found in any other textbooks or general references, the information and insight found here makes this a genuinely unique handbook and reference. Following the successful approach of the previous volumes in the series, inventors and primary developers of successful drugs from both industry and academia tell the story of the drug's discovery and describe the sometimes twisted route from the first drug candidate molecule to the final marketed drug. The 11 case studies selected describe recent drugs ranging across many therapeutic fields and provide a representative cross-section of present-day drug developments. Backed by plenty of data and chemical information, the insight and experience of today?s top drug creators makes this one of the most useful training manuals that a junior medicinal chemist may hope to find. The International Union of Pure and Applied Chemistry has endorsed and sponsored this project because of its high educational merit.
(source: Nielsen Book Data)9783527808663 20180618
Book
1 online resource (xvii, 291 pages)
  • 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
Book
online resource (xvii, 291 pages) ; 25 cm
  • Introduction
  • Thermodynamics in drug discovery
  • Tailoring hit identification and qualification methods for targeting protein-protein interactions
  • Hydrogen-deuterium exchange mass spectrometry in drug discovery - theory, practice and future
  • Microscale thermophoresis in drug discovery
  • SPR screening: applying the new generation of SPR hardware
  • Weak affinity chromatography (WAC)
  • 1D NMR methods for hit identification
  • Protein-based NMR methods applied to drug discovery
  • Applications of ligand and protein-observed NMR in ligand discovery
  • Using biophysical methods to optimize compound residence time
  • Applying biophysical and biochemical methods to the discovery of allosteric modulators of the AAA ATPase p97
  • Driving drug discovery with biophysical information: application to Staphylococcus aureus Dihydrofolate reductase (DHFR)
  • Assembly of fragment screening libraries: property and diversity analysis.
"This book 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"--Provided by publisher.
Medical Library (Lane)
Book
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
Book
1 online resource (96 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 20180521
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 20180521
Book
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 20180521
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 20180521
ProQuest Ebook Central Access limited to 1 user
Book
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
Book
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.
Book
online resource (xiii, 171 pages) ; 23 cm
  • To cure, heal or repair
  • Hunting for drugs
  • Laboratory studies
  • First time in humans
  • Only probabilities, never certainties
  • Approval or rejection
  • Vigilance, revisions, new indications
  • Predicting the drugs of the future
  • Not every pill is a proper drug
  • If you want to know more
  • Myths to be dispelled
  • Did you know that.
"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 et L Vozza, Come Nascono le Medicine; La scienza imperfetta dei farmaci. Bologna: Zanichelli"--Publisher's website.
Medical Library (Lane)
Book
online resource (xiii, 246 pages) : illustrations ; 24 cm
Medical Library (Lane)
Book
online resource (xiii, 246 pages) : illustrations.

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