Quantitative Drug Design

Quantitative Drug Design
Author: Yvonne C. Martin
Publsiher: CRC Press
Total Pages: 292
Release: 2010-05-06
Genre: Medical
ISBN: 9781420071009

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Since the publication of the first edition, the field has changed dramatically. Scientists can now explicitly consider 3D features in quantitative structure-activity relationship (QSAR) studies and often have the 3D structure of the macromolecular target to guide the 3D QSAR. Improvements in computer hardware and software have also made the methods

Drug Design Strategies

Drug Design Strategies
Author: David J. Livingstone,Andrew M. Davis
Publsiher: Royal Society of Chemistry
Total Pages: 517
Release: 2012
Genre: Medical
ISBN: 9781849731669

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This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.

Quantitative drug design

Quantitative drug design
Author: Yvonne Connolly Martin
Publsiher: Unknown
Total Pages: 442
Release: 1978
Genre: Electronic Book
ISBN: 0824779630

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Quantitative Structure Activity Relationships in Drug Design Predictive Toxicology and Risk Assessment

Quantitative Structure Activity Relationships in Drug Design  Predictive Toxicology  and Risk Assessment
Author: Roy, Kunal
Publsiher: IGI Global
Total Pages: 727
Release: 2015-02-28
Genre: Technology & Engineering
ISBN: 9781466681378

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Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.

3D QSAR in Drug Design

3D QSAR in Drug Design
Author: Hugo Kubinyi,Gerd Folkers,Yvonne C. Martin
Publsiher: Springer Science & Business Media
Total Pages: 417
Release: 2006-04-11
Genre: Science
ISBN: 9780306468575

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Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series. 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.

QSAR and Drug Design New Developments and Applications

QSAR and Drug Design  New Developments and Applications
Author: H. Timmerman
Publsiher: Elsevier
Total Pages: 490
Release: 1995-11-20
Genre: Science
ISBN: 0080545009

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Based on topics presented at the Annual Japanese (Quantitative) Structure-Activity Relationship Symposium and the Biennial China-Japan Drug Design and Development conference, the topics in this volume cover almost every procedure and subdiscipline in the SAR discipline. They are categorized in three sections. Section one includes topics illustrating newer methodologies relating to ligand-receptor, molecular graphics and receptor modelling as well as the three-dimensional (Q)SAR examples with the active analogue approach and the comparative molecular field analysis. In section 2 the hydrophobicity parameters, log P (1-octanol/water) for compound series of medicinal-chemical interest are analysed physico-organic chemically. Section 3 contains the examples based on the traditional Hansch QSAR approach. A variety of methodologies and procedures are presented in this single volume, along with their methodological philosophies.

Introduction to Drug Designing and Development

Introduction to Drug Designing and Development
Author: Rajnish Kumar,Anju Sharma,Rajesh Kumar Tiwari
Publsiher: Nova Science Publishers
Total Pages: 0
Release: 2014
Genre: Drug development
ISBN: 162948556X

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This book is useful to readers who are just beginning in the field of drug design and development. It starts with an introduction and some basic information about drugs. Pharmacokinetic and pharmacodynamic aspects are covered in the initial chapters. Systemic descriptions of pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion are explained in simple and easy language. This book demonstrates detailed concepts of lead molecules and their sources. In addition, drug target classification, identification and validation strategies, as well as the design and development of combinatorial libraries for new lead generation are also covered. This book contains various methodologies, such as structure-based drug designing, quantitative structure activity relationship, pharmacophore modelling, and docking studies for screening and designing the drug candidates. This book will help in the identification and design of drugs that could be potentially useful in deriving the candidate drugs, which may have efficacy in animal models or cell cultures. Thus, the most effective compounds could be employed based on the above results, and will then be moved from preclinical studies to clinical trials. The last couple of chapters describe dosage drug regulatory affairs and recent advancements in healthcare. The aim of this book is to provide comprehensive ideas about overall drug design and development.

Drug Design

Drug Design
Author: Everhardus Jacobus Ariëns
Publsiher: Unknown
Total Pages: 614
Release: 1971
Genre: Drugs
ISBN: UCAL:B4140576

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