An Introduction To Drug Design

The Book Entitled, An Introduction To Drug Design Aims To Optimize The Discovery Of Drugs At A Low Cost And On Occasions To Change Their Pharmacokinetic And Pharmacodyanamic Properties. The Introductory Chapter Which Forms The Basis Of Drug Discovery Is Followed By The Present-Day Thinking Regarding The Best Approaches To Drug Discovery Are Considered. Similarly, There Have Been Major Advances In The Employment Of Computers In Structure-Activity Analysis, And A Discussion Of The State Of The Art In This Area Is Also Included.The Chapter On Qsar Highlights The Role Of Physico-Chemical Parameters In Predicting The Future Course Of Drug Discovery With Rational Drug Design. The Role Of Enzymes In Drug Action Is Well Established, And A Chapter On Design Of Enzyme Inhibitors Is Well Documented. In Addition, The Increased Understanding Of The Design And Utilisation Of Prodrugs Has Led To A Discussion Of The Relevant Issues In This Text.Thus The Book Will Fill The Need Of A Text For Designing New Drugs And The Principles Of New Drug Discovery.

Advances in knowledge and technology have revolutionized the process of drug development, making it possible to design drugs for a given target or disease. Building on the foundation laid by the previous three editions, Smith and Williams Introduction to the Principles of Drug Design and Action, Fourth Edition includes the latest informatio

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.

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

Building on the success of the previous editions, Textbook of Drug Design and Discovery has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The book follows drug design from the initial lead identification through optimization and structure-activity relationship with reference to the final processes of clinical evaluation and registration. Chapters investigate the design of enzyme inhibitors and drugs for particular cellular targets such as ion channels and receptors, and also explore specific classes of drug such as peptidomimetics, antivirals and anticancer agents. The use of gene technology in pharmaceutical research, computer modeling techniques, and combinatorial approaches are also included.

Introduction to the Principles of Drug Design provides a framework of fundamental drug design and principles into which drugs following on developments may be fitted. This book presents the rationales behind the design of drugs. Organized into nine chapters, this book begins with an overview of how the body handles a drug in terms of absorption, metabolism, distribution, and excretion. This text then examines the critical drug activity at the receptor site, which is usually related to blood and other distribution fluid levels. Other chapters consider the factors involved in binding a drug, metabolite, or substrate to a receptor. The final chapter deals with the design of chemotherapeutic agent for clinical use in the treatment of human infections. This book is intended for use in undergraduate pharmacy courses in medicinal chemistry and as an aid in similar courses in biochemistry and pharmacology. Graduates in chemistry just entering the pharmaceutical industry will also find this book useful.

The newer research areas in pharmaceutical sciences, particularly molecular modeling and simulations, prompted a more efficient drug discovery process. Informatics integrated with pharmaceutical sciences (cheminformatics and bioinformatics) became an essential component of drug research. Drug informatics such as genomics and proteomics assists in the Rational Drug Design (RDD). This emerging discipline is known as “Computer-Aided Drug Design (CADD)”, which has profound application in rational drug design (RDD). The advanced and adequate practice in drug design informatics is essential for pharmacy graduates. Hence, a companion for acquiring knowledge on these concepts is vital. The students of B. Pharmacy, M. Pharmacy (Pharmaceutical Chemistry, Pharmacology, and Pharmaceutics), biotechnology, biomedical engineering and other interdisciplinary fields may find this book as a reference guide. The salient features of this book are: • Systematic and simple approach • Emphasis on traditional and modern drug design strategies • Comprehensive coverage for the current advances in the drug design • Experimental section to ensure hands-on-experience Note: T& F does not sell or distribute the Hardback in India, Pakistan, Nepal, Bhutan, Bangladesh and Sri Lanka.

Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.