Drug-like Properties: Concepts, Structure Design and Methods

Drug-like Properties: Concepts, Structure Design and Methods

Author: Li Di

Publisher: Elsevier

Published: 2010-07-26

Total Pages: 549

ISBN-13: 0080557619

DOWNLOAD EBOOK

Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint


The Molecular Basis of Drug Addiction

The Molecular Basis of Drug Addiction

Author: Shafiqur Rahman

Publisher: Academic Press

Published: 2016-01-28

Total Pages: 279

ISBN-13: 0128038683

DOWNLOAD EBOOK

This volume of Progress in Molecular Biology and Translational Science focuses on the molecular basis of drug addiction. - Contains contributions from leading authorities - Informs and updates on all the latest developments in the field


Molecular Biology of Drug Addiction

Molecular Biology of Drug Addiction

Author: Rafael Maldonado

Publisher: Springer Science & Business Media

Published: 2003

Total Pages: 368

ISBN-13:

DOWNLOAD EBOOK

A comprehensive multidisciplinary review of the most relevant molecular, genetic, and behavioral approaches used to investigate the neurobiological basis of drug addiction. The authors explore the latest findings on opioid, psychostimulant, cannabinoid, alcohol, and nicotine addiction, provide fresh insights into the genetic basis of drug addiction and the new therapeutic perspectives these have opened. They describe the technology available to generate conditional knockout mice and show how these mice can reveal the molecular basis of opioid, psychostimulant, and cannabinoid addiction. They also review the different behavioral models available to evaluate the rewarding effects of drugs and analyze the genes involved in alcohol dependence.


Artificial Intelligence in Drug Discovery

Artificial Intelligence in Drug Discovery

Author: Nathan Brown

Publisher: Royal Society of Chemistry

Published: 2020-11-04

Total Pages: 425

ISBN-13: 1839160543

DOWNLOAD EBOOK

Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.


Analysis of Drugs of Abuse

Analysis of Drugs of Abuse

Author: Rabi A. Musah

Publisher: Humana Press

Published: 2018-07-05

Total Pages: 231

ISBN-13: 9781493985784

DOWNLOAD EBOOK

This volume features a comprehensive set of protocols featuring a range of both old and new technologies that can be used to analyze drugs of abuse, including prescription drugs, new psychoactive substances and psychoactive plants. Chapters guide readers through the application of color tests, light microscopy-based particle imaging, GC-MS, Raman spectroscopy, capillary electrophoresis, ultra-high performance LC-tandem MS, DART-MS, MALDI-mass spectrometry imaging, LC-MS/MS and HPLC-ESI-MS/MS to the analysis of abused drugs in wastewater, hair, urine and plant-derived materials, among other matrices. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Analysis of Drugs of Abuse aims to ensure successful results in the further study of this vital field.


Improving and Accelerating Therapeutic Development for Nervous System Disorders

Improving and Accelerating Therapeutic Development for Nervous System Disorders

Author: Institute of Medicine

Publisher: National Academies Press

Published: 2014-02-06

Total Pages: 107

ISBN-13: 0309292492

DOWNLOAD EBOOK

Improving and Accelerating Therapeutic Development for Nervous System Disorders is the summary of a workshop convened by the IOM Forum on Neuroscience and Nervous System Disorders to examine opportunities to accelerate early phases of drug development for nervous system drug discovery. Workshop participants discussed challenges in neuroscience research for enabling faster entry of potential treatments into first-in-human trials, explored how new and emerging tools and technologies may improve the efficiency of research, and considered mechanisms to facilitate a more effective and efficient development pipeline. There are several challenges to the current drug development pipeline for nervous system disorders. The fundamental etiology and pathophysiology of many nervous system disorders are unknown and the brain is inaccessible to study, making it difficult to develop accurate models. Patient heterogeneity is high, disease pathology can occur years to decades before becoming clinically apparent, and diagnostic and treatment biomarkers are lacking. In addition, the lack of validated targets, limitations related to the predictive validity of animal models - the extent to which the model predicts clinical efficacy - and regulatory barriers can also impede translation and drug development for nervous system disorders. Improving and Accelerating Therapeutic Development for Nervous System Disorders identifies avenues for moving directly from cellular models to human trials, minimizing the need for animal models to test efficacy, and discusses the potential benefits and risks of such an approach. This report is a timely discussion of opportunities to improve early drug development with a focus toward preclinical trials.


Pathways of Addiction

Pathways of Addiction

Author: Institute of Medicine

Publisher: National Academies Press

Published: 1996-11-01

Total Pages: 330

ISBN-13: 0309055334

DOWNLOAD EBOOK

Drug abuse persists as one of the most costly and contentious problems on the nation's agenda. Pathways of Addiction meets the need for a clear and thoughtful national research agenda that will yield the greatest benefit from today's limited resources. The committee makes its recommendations within the public health framework and incorporates diverse fields of inquiry and a range of policy positions. It examines both the demand and supply aspects of drug abuse. Pathways of Addiction offers a fact-filled, highly readable examination of drug abuse issues in the United States, describing findings and outlining research needs in the areas of behavioral and neurobiological foundations of drug abuse. The book covers the epidemiology and etiology of drug abuse and discusses several of its most troubling health and social consequences, including HIV, violence, and harm to children. Pathways of Addiction looks at the efficacy of different prevention interventions and the many advances that have been made in treatment research in the past 20 years. The book also examines drug treatment in the criminal justice setting and the effectiveness of drug treatment under managed care. The committee advocates systematic study of the laws by which the nation attempts to control drug use and identifies the research questions most germane to public policy. Pathways of Addiction provides a strategic outline for wise investment of the nation's research resources in drug abuse. This comprehensive and accessible volume will have widespread relevanceâ€"to policymakers, researchers, research administrators, foundation decisionmakers, healthcare professionals, faculty and students, and concerned individuals.