Computer Aided Drug Design and Delivery Systems

Author: Ahindra Nag
Publisher: McGraw Hill Professional
ISBN: 0071701257
Format: PDF, ePub, Docs
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THE LATEST BREAKTHROUGHS IN COMPUTER-AIDED DRUG DESIGN AND DELIVERY This definitive text provides in-depth information on computer-assisted techniques for discovering, designing, and optimizing new, effective, and safe drugs. Computer-Aided Drug Design and Delivery Systems offers objective and quantitative data on the use and delivery of drugs in humans. Enabling technologies such as bioinformatics, pharmacokinetics, biosensors, robotics, and bioinstruments are thoroughly discussed in this innovative work. Coverage includes: Computer-aided drug design (CADD) Drug delivery systems Bioinformatics of drug molecules and databases Lipase- and esterase-mediated drugs and drug intermediates Pharmacokinetics and pharmacodynamics of drugs Biomarkers, biosensors, and robotics in medicine Biomedical instrumentation

Retrometabolic Drug Design and Targeting

Author: Nicholas Bodor
Publisher: John Wiley & Sons
ISBN: 1118407768
Format: PDF, Mobi
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Innovative approach to drug design that's more likely to result in an approvable drug product Retrometabolic drug design incorporates two distinct drug design approaches to obtain soft drugs and chemical delivery systems, respectively. Combining fundamentals with practical step-by-step examples, Retrometabolic Drug Design and Targeting gives readers the tools they need to take full advantage of retrometabolic approaches in order to develop safe and effective targeted drug therapies. The authors, both pioneers in the fields of soft drugs and retrometabolic drug design, offer valuable ideas, approaches, and solutions to a broad range of challenges in drug design, optimization, stability, side effects, and toxicity. Retrometabolic Drug Design and Targeting begins with an introductory chapter that explores new drugs and medical progress as well as the challenges of today's drug discovery. Next, it discusses: Basic concepts of the mechanisms of drug action Drug discovery and development processes Retrometabolic drug design Soft drugs Chemical delivery systems Inside the book, readers will find examples from different pharmacological areas detailing the rationale for each drug design. These examples set forth the relevant pharmacokinetic and pharmacodynamic properties of the new therapeutic agents, comparing these properties to those of other compounds used for the same therapeutic purpose. In addition, the authors review dedicated computer programs that are available to support and streamline retrometabolic drug design efforts. Retrometabolic Drug Design and Targeting is recommended for all drug researchers interested in employing this newly tested and proven approach to developing safe and effective drugs.

Smith and Williams Introduction to the Principles of Drug Design and Action Fourth Edition

Author: H. John Smith
Publisher: CRC Press
ISBN: 9780203304150
Format: PDF, Mobi
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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 information on topics such as gene therapy, computer-aided design, and molecular techniques including proteomics. Using real-world examples that illustrate the principles of drug design, the author explores the discovery of lead compounds and their manipulation in the production of non-toxic, metabolically stable drug candidates that will interact with target receptors in a predicted fashion. See what’s new in the Fourth Edition: Fully updates and expands the contents Coverage of agonists and antagonists of neuro-transmitters Information on the design of stable peptide-like drugs The human genome and its impact on drug discovery and development Advances in therapy and pharmacokinetics Adopting a from-the-bench-to-the-marketplace approach, the book provides a thorough grounding in rational drug design. It emphasizes principles and elucidates a framework for basic drug design into which current and, more importantly, future drugs will fit.

Computer Aided Drug Discovery

Author: Anderson Cancer Center Texas Wei Zhang
Publisher: Methods in Pharmacology and To
ISBN: 9781493980659
Format: PDF, ePub, Docs
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This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab's goals with this exciting and versatile technology.

Novel Approaches for Drug Delivery

Author: Keservani, Raj K.
Publisher: IGI Global
ISBN: 1522507523
Format: PDF, ePub, Mobi
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Providing optimal care to patients is a primary concern in the healthcare field. By utilizing the latest resources and research in biomedical applications, the needs and expectations of patients can be successfully exceeded. Novel Approaches for Drug Delivery is an authoritative reference source for the latest scholarly research on emerging developments within the pharmaceutical industry, examining the current state and future directions of drug delivery systems. Highlighting therapeutic applications, predictive toxicology, and risk assessment perspectives, this book is ideally designed for medical practitioners, pharmacists, graduate-level students, scientists, and researchers.

Computational Pharmaceutics

Author: Defang Ouyang
Publisher: John Wiley & Sons
ISBN: 111857396X
Format: PDF
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Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.

Drug Design

Author: Kenneth M. Merz, Jr
Publisher: Cambridge University Press
ISBN: 1107717752
Format: PDF, Mobi
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Structure-based (SBDD) and ligand-based (LBDD) drug design are extremely important and active areas of research in both the academic and commercial realms. This book provides a complete snapshot of the field of computer-aided drug design and associated experimental approaches. Topics covered include X-ray crystallography, NMR, fragment-based drug design, free energy methods, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore methods, computational ADME-Tox, and drug discovery case studies. A variety of authors from academic and commercial institutions all over the world have contributed to this book, which is illustrated with more than 200 images. This is the only book to cover the subject of structure and ligand-based drug design, and it provides the most up-to-date information on a wide range of topics for the practising computational chemist, medicinal chemist, or structural biologist. Professor Kenneth Merz has been selected as the recipient of the 2010 ACS Award for Computers in Chemical & Pharmaceutical Research that recognizes the advances he has made in the use of quantum mechanics to solve biological and drug discovery problems.

MEDICAL INFORMATICS

Author: DINESH BHATIA
Publisher: PHI Learning Pvt. Ltd.
ISBN: 8120350758
Format: PDF, ePub, Docs
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This is an up-to-date text that presents a detailed exposition of the concepts of Medical Informatics with a simple and student-friendly approach. The topics are comprehensively described and are supported with illustrations, figures and tables which make it a unique offering for both—the students and the teachers. The author has brought all his teaching and research experience to make this book easy to read and understand. The stress is mainly given on the integration of medical informatics in healthcare management, in the context of Indian scenario. The book emphasizes the role of computers in the area of medical services including nursing, clinical care, dentistry, pharmacy, public health and biomedical research. The main focus in healthcare nowadays is given to create, maintain and manage large and complex electronic information data that can securely gather, store, transfer and make accessible Electronic Health Records (EHRs) and Electronic Medical Records (EMRs). The book, organized in an easy-to-read style is highly informative, and attempts to keep up with the quick pace of changes in this field. The book is primarily designed for the undergraduate and postgraduate students of biomedical engineering and paramedical courses. It will also be of great value to the healthcare professionals.

Computer Aided Vaccine Design

Author: Joo Chuan Tong
Publisher: Elsevier
ISBN: 1908818417
Format: PDF, Mobi
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Computational pre-screening of antigens is now routinely applied to the discovery of vaccine candidates. Computer-aided vaccine design is a comprehensive introduction to this exciting field of study. The book is intended to be a textbook for researchers and for courses in bioinformatics, as well as a laboratory reference guide. It is written mainly for biologists who want to understand the current methods of computer-aided vaccine design. The contents are designed to help biologists appreciate the underlying concepts and algorithms used, as well as limitations of the methods and strategies for their use. Chapters include: MHC and T cell responses; Immunoglobulins and B cell responses; Scientific publications and databases; Database design; Computational T cell vaccine design; Computational B cell vaccine design; infectious disease informatics; Vaccine safety and quality assessments; and Vaccine adjuvant informatics. Essential reading for any biologist who wants to understand methods of computer-aided vaccine design Description of available data sources and publicly available software, with detailed analysis of strengths and weaknesses Theoretical concepts and practical examples of database design and development for a virtual screening campaign

The Practice of Medicinal Chemistry

Author: Camille Georges Wermuth
Publisher: Elsevier
ISBN: 012417213X
Format: PDF, Docs
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The Practice of Medicinal Chemistry, Fourth Edition provides a practical and comprehensive overview of the daily issues facing pharmaceutical researchers and chemists. In addition to its thorough treatment of basic medicinal chemistry principles, this updated edition has been revised to provide new and expanded coverage of the latest technologies and approaches in drug discovery. With topics like high content screening, scoring, docking, binding free energy calculations, polypharmacology, QSAR, chemical collections and databases, and much more, this book is the go-to reference for all academic and pharmaceutical researchers who need a complete understanding of medicinal chemistry and its application to drug discovery and development. Includes updated and expanded material on systems biology, chemogenomics, computer-aided drug design, and other important recent advances in the field Incorporates extensive color figures, case studies, and practical examples to help users gain a further understanding of key concepts Provides high-quality content in a comprehensive manner, including contributions from international chapter authors to illustrate the global nature of medicinal chemistry and drug development research An image bank is available for instructors at www.textbooks.elsevier.com