QSAR Studies of Histone Deacetylase Inhibitors

QSAR Studies of Histone Deacetylase Inhibitors
Author: Sonika Jain,Pankaj Kumar Jain
Publsiher: Unknown
Total Pages: 52
Release: 2016-06-07
ISBN: 9783659888052
Category: Electronic Book
Language: EN, FR, DE, ES & NL

QSAR Studies of Histone Deacetylase Inhibitors Book Excerpt:

Hydroxamic Acids

Hydroxamic Acids
Author: Satya P. Gupta
Publsiher: Springer Science & Business Media
Total Pages: 312
Release: 2013-09-30
ISBN: 3642381111
Category: Science
Language: EN, FR, DE, ES & NL

Hydroxamic Acids Book Excerpt:

Satya P. Gupta's Hydroxamics Acids is the first book to compile invited articles written by international experts on the class of compounds hydroxamic acids. Found to possess a wide spectrum of biological activities, the hydroxamic acids are of interest to theoretical and experimental chemists who can study and make use of them in drug design and development. Chapters in this book provide a diverse and comprehensive coverage of this compound class and consequently this publication is a valuable resource for researchers in chemical, pharmaceutical and biological sciences.

Advances in QSAR Modeling

Advances in QSAR Modeling
Author: Kunal Roy
Publsiher: Springer
Total Pages: 555
Release: 2017-05-22
ISBN: 3319568507
Category: Science
Language: EN, FR, DE, ES & NL

Advances in QSAR Modeling Book Excerpt:

The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.

Enzyme Inhibitors Advances in Research and Application 2012 Edition

Enzyme Inhibitors   Advances in Research and Application  2012 Edition
Author: Anonim
Publsiher: ScholarlyEditions
Total Pages: 206
Release: 2012-12-26
ISBN: 1464997918
Category: Medical
Language: EN, FR, DE, ES & NL

Enzyme Inhibitors Advances in Research and Application 2012 Edition Book Excerpt:

Enzyme Inhibitors—Advances in Research and Application: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Enzyme Inhibitors. The editors have built Enzyme Inhibitors—Advances in Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Enzyme Inhibitors in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Enzyme Inhibitors—Advances in Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Virtual Drug Design

Virtual Drug Design
Author: Daniela Schuster,Honglin Li
Publsiher: Frontiers Media SA
Total Pages: 135
Release: 2020-01-13
ISBN: 2889633594
Category: Electronic Book
Language: EN, FR, DE, ES & NL

Virtual Drug Design Book Excerpt:

In the current drug research environment in academia and industry, cheminformatics and virtual screening methods are well established and integrated tools. Computational tools are used to predict a compound’s 3D structure, the 3D structure and function of a pharmacological target, ligand-target interactions, binding energies, and other factors essential for a successful drug. This includes molecular properties such as solubility, logP value, susceptibility to metabolism, cell permeation, blood brain barrier permeation, interaction with drug transporters and potential off-target effects. Given that approximately 40 million unique compounds are readily available for purchase, such computational modeling and filtering tools are essential to support the drug discovery and development process. The aim of all these calculations is to focus experimental efforts on the most promising candidates and exclude problematic compounds early in the project. In this Research Topic on virtual activity predictions, we cover several aspects of this research area such as historical perspectives, data sources, ligand treatment, virtual screening methods, hit list handling and filtering.

Three Dimensional QSAR

Three Dimensional QSAR
Author: Jean Pierre Doucet,Annick Panaye
Publsiher: CRC Press
Total Pages: 575
Release: 2010-12-17
ISBN: 1420091166
Category: Science
Language: EN, FR, DE, ES & NL

Three Dimensional QSAR Book Excerpt:

As a result of new statistical and mathematical approaches, improved visualization tools, and recognition by international regulatory groups, quantitative structure-activity relationships (QSARs) now play important roles in pharmacology for the design of new drugs as well as in toxicology and ecotoxicology for hazard identification and risk assessment. Providing up-to-date coverage of the field, Three Dimensional QSAR: Applications in Pharmacology and Toxicology presents the most recent QSAR methods and illustrates their scope, advantages, and limitations. Part I The first part of the book addresses CoMFA and related methods, such as CoMSIA, FLUFF, SOMFA. It also describes shape-, surface-, and volume-based approaches, including MSA, excluded volume, LIV, HASL, receptor surface model, COMPASS, and CoMSA. Part II Focusing on methods that use 3D information, the second part covers autocorrelation methods, such as GRIND; similarity-based methods, including similarity matrices and quantum similarity indices; and quantitative spectroscopic data–activity relationships. Some applications in data mining are also explored. Part III The third part deals with post-3D models. The authors discuss the adaptation of the receptor and simultaneous presence of several conformers or solvation mechanisms. Part IV The final part presents receptor-related approaches as well as docking and free energy calculations, which are treated at various levels. This part concerns the extensive sampling of phase space and approximate methods, such as linear interaction energy, Poisson–Boltzmann, and generalized Born models. A case study covering several parallel approaches is also developed. An appendix offers the basic principles of modeling and statistical tools routinely required in QSAR methodologies, including optimization methods, molecular mechanics and dynamics, multivariate analysis, nonlinear models, and evolutionary techniques. It provides newcomers with the concepts necessary to fully grasp the essentials of these methods and gives a basic grounding in their correct use. Illustrated with numerous examples and a color insert, this book supplies a clear overview of the strengths and weaknesses of 3D-QSAR approaches. It explains how these modern techniques can link the biological activity of chemicals to their structure, encompassing both their 2D structural formulae and 3D geometry.

Epi Informatics

Epi Informatics
Author: Jose Medina-Franco
Publsiher: Academic Press
Total Pages: 440
Release: 2016-02-24
ISBN: 0128028092
Category: Medical
Language: EN, FR, DE, ES & NL

Epi Informatics Book Excerpt:

Epi-Informatics: Discovery and Development of Small Molecule Epigenetic Drugs and Probes features multidisciplinary strategies with strong computational approaches that have led to the successful discovery and/or optimization of compounds that act as modulators of epigenetic targets. This book is intended for all those using or wanting to learn more about computational methodologies in epigenetic drug discovery, including molecular modelers, informaticians, pharmaceutical scientists, and medicinal chemists. With a better understanding of different molecular modeling and cheminformatic approaches, readers can incorporate these techniques into their own drug discovery projects that may involve chemical synthesis and medium- or high-throughput screening. In addition, this book highlights the significance of epigenetic targets to the public health for molecular modelers and chemoinformatians. The goal of this reference is to stimulate ongoing multidisciplinary research and to further improve current computational methodologies and workflows in order to accelerate the discovery and development of epi-drugs and epi-probes. Focuses on the discovery of epi-drugs as candidates to be used in therapy including combined therapies Describes new computational methodologies and screening assays utilizing recent and emerging novel structural data Highlights the discovery, development and optimization of epi-probes, which are molecular probes that elucidate epigenetic mechanisms Includes important topics such as computational-guided optimization of epi-hits, virtual screening to identify novel compounds for epigenetic targets, development and mining of epigenetic molecular databases, SAR modeling of screening data and much more

Benzoic Acids Advances in Research and Application 2012 Edition

Benzoic Acids   Advances in Research and Application  2012 Edition
Author: Anonim
Publsiher: ScholarlyEditions
Total Pages: 149
Release: 2012-12-26
ISBN: 1481604104
Category: Science
Language: EN, FR, DE, ES & NL

Benzoic Acids Advances in Research and Application 2012 Edition Book Excerpt:

Benzoic Acids—Advances in Research and Application: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Benzoic Acids. The editors have built Benzoic Acids—Advances in Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Benzoic Acids in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Benzoic Acids—Advances in Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Applied Case Studies and Solutions in Molecular Docking Based Drug Design

Applied Case Studies and Solutions in Molecular Docking Based Drug Design
Author: Dastmalchi, Siavoush
Publsiher: IGI Global
Total Pages: 367
Release: 2016-05-11
ISBN: 1522503633
Category: Medical
Language: EN, FR, DE, ES & NL

Applied Case Studies and Solutions in Molecular Docking Based Drug Design Book Excerpt:

As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.

Chemical Epigenetics

Chemical Epigenetics
Author: Antonello Mai
Publsiher: Springer Nature
Total Pages: 567
Release: 2020-03-31
ISBN: 3030429822
Category: Science
Language: EN, FR, DE, ES & NL

Chemical Epigenetics Book Excerpt:

This book presents an authoritative review of the most significant findings about all the epigenetic targets (writers, readers, and erasers) and their implication in physiology and pathology. The book also covers the design, synthesis and biological validation of epigenetic chemical modulators, which can be useful as novel chemotherapeutic agents. Particular attention is given to the chemical mechanisms of action of these molecules and to the drug discovery prose which allows their identification. This book will appeal to students who want to know the extensive progresses made by epigenetics (targets and modulators) in the last years from the beginning, and to specialized scientists who need an instrument to quickly search and check historical and/or updated notices about epigenetics.

Practical Aspects of Computational Chemistry V

Practical Aspects of Computational Chemistry V
Author: Jerzy Leszczynski
Publsiher: Springer Nature
Total Pages: 135
Release: 2022
ISBN: 3030832449
Category: Electronic Book
Language: EN, FR, DE, ES & NL

Practical Aspects of Computational Chemistry V Book Excerpt:

Amidohydrolases Advances in Research and Application 2013 Edition

Amidohydrolases   Advances in Research and Application  2013 Edition
Author: Anonim
Publsiher: ScholarlyEditions
Total Pages: 369
Release: 2013-06-21
ISBN: 1481684779
Category: Medical
Language: EN, FR, DE, ES & NL

Amidohydrolases Advances in Research and Application 2013 Edition Book Excerpt:

Amidohydrolases—Advances in Research and Application: 2013 Edition is a ScholarlyEditions™ book that delivers timely, authoritative, and comprehensive information about Dihydroorotase. The editors have built Amidohydrolases—Advances in Research and Application: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Dihydroorotase in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Amidohydrolases—Advances in Research and Application: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Pharmaceutical Sciences Breakthroughs in Research and Practice

Pharmaceutical Sciences  Breakthroughs in Research and Practice
Author: Management Association, Information Resources
Publsiher: IGI Global
Total Pages: 1584
Release: 2016-12-28
ISBN: 1522517634
Category: Medical
Language: EN, FR, DE, ES & NL

Pharmaceutical Sciences Breakthroughs in Research and Practice Book Excerpt:

The delivery of optimal pharmaceutical services to patients is a pivotal concern in the healthcare field. By examining current trends and techniques in the industry, processes can be maintained and improved. Pharmaceutical Sciences: Breakthroughs in Research and Practice provides comprehensive coverage of the latest innovations and advancements for pharmaceutical applications. Focusing on emerging drug development techniques and drug delivery for improved health outcomes, this book is ideally designed for medical professionals, pharmacists, researchers, academics, and upper-level students within the growing pharmaceutical industry.

Index Medicus

Index Medicus
Author: Anonim
Publsiher: Unknown
Total Pages: 135
Release: 2003
ISBN: 1928374650XXX
Category: Medicine
Language: EN, FR, DE, ES & NL

Index Medicus Book Excerpt:

Histone Modifications in Therapy

Histone Modifications in Therapy
Author: Pedro Castelo-Branco,Carmen Jeronimo
Publsiher: Academic Press
Total Pages: 490
Release: 2020-08-21
ISBN: 0128167408
Category: Science
Language: EN, FR, DE, ES & NL

Histone Modifications in Therapy Book Excerpt:

Histone Modifications in Therapy provides an in-depth analysis of the role of histone mechanisms in major diseases and the promise of targeting histone modifications for disease prevention and treatment. Here, researchers, clinicians and students will discover a thorough, evidence-based discussion of the biology of histones, the diseases engaged by aberrant histone modifications, and pathways with therapeutic potential. Expert chapter addresses the role of histone modifications across a variety of disorders, including cancer, neuropsychiatric, neurodegenerative, cardiac, metabolic, infectious, bacterial, autoimmune and inflammatory disorders, among others. In relation to these disease types, histone modifications are discussed, both as mechanisms of prevention and possible treatment. A concluding chapter brings together future perspectives for targeting histone modifications in therapy and next steps in research. Examines the use of histone modifications in disease prevention and therapy Explores the role of histone modifications in cancer, neuropsychiatric, neurodegenerative, cardiac, metabolic, infectious, bacterial, and inflammatory disease, among others Features chapters from a broad range of international authors and disease specialists

Computer Applications in Drug Discovery and Development

Computer Applications in Drug Discovery and Development
Author: Puratchikody, A.,Prabu, S. Lakshmana,Umamaheswari, A.
Publsiher: IGI Global
Total Pages: 332
Release: 2018-11-23
ISBN: 1522573275
Category: Medical
Language: EN, FR, DE, ES & NL

Computer Applications in Drug Discovery and Development Book Excerpt:

With more restrictions upon animal experimentations, pharmaceutical industries are currently focusing on a new generation of experiments and technologies that are considerably more efficient and less controversial. The integration of computational and experimental strategies has led to the identification and development of promising compounds. Computer Applications in Drug Discovery and Development is a pivotal reference source that provides innovative research on the application of computers for discovering and designing new drugs in modern molecular biology and medicinal chemistry. While highlighting topics such as chemical structure databases and dataset utilization, this publication delves into the current panorama of drug discovery, where high drug failure rates are a major concern and properly designed virtual screening strategies can be a time-saving, cost-effective, and productive alternative. This book is ideally designed for chemical engineers, pharmacists, molecular biologists, students, researchers, and academicians seeking current research on the unexplored avenues and future perspectives of drug design.

Drug Design of Zinc Enzyme Inhibitors

Drug Design of Zinc Enzyme Inhibitors
Author: Claudiu T. Supuran,Jean-Yves Winum
Publsiher: John Wiley & Sons
Total Pages: 1040
Release: 2009-10-22
ISBN: 9780470508152
Category: Medical
Language: EN, FR, DE, ES & NL

Drug Design of Zinc Enzyme Inhibitors Book Excerpt:

Brings together functional and structural informationrelevant to the design of drugs targeting zinc enzymes The second most abundant transition element in living organisms, zinc spans all areas of metabolism, with zinc-containing proteins offering both established and potential drug targets. Drug Design of Zinc-Enzyme Inhibitors brings together functional and structural information relevant to these zinc-containing targets. With up-to-date overviews of the latest developments field, this unique and comprehensive text enables readers to understand zinc enzymes and evaluate them in a drug design context. With contributions from the leaders of today's research, Drug Design of Zinc-Enzyme Inhibitors covers such key topics as: Major drug targets like carbonic anhydrases, matrix metalloproteinases, bacterial proteases, angiotensin-converting enzyme, histone deacetylase, and APOBEC3G Roles of recently discovered zinc-containing isozymes in cancer, obesity, epilepsy, pain management, malaria, and other conditions Cross reactivity of zinc-enzyme inhibitors and activators The extensive use of X-ray crystallography and QSAR studies for understanding zinc-containing proteins Clinical applications An essential resource for the discovery and development of new drug molecules, Drug Design of Zinc-Enzyme Inhibitors gives researchers, professionals, students, and academics the foundation to understand and work with zinc enzyme inhibitors and activators.

Amidohydrolases Advances in Research and Application 2012 Edition

Amidohydrolases   Advances in Research and Application  2012 Edition
Author: Anonim
Publsiher: ScholarlyEditions
Total Pages: 315
Release: 2012-12-26
ISBN: 1464995168
Category: Medical
Language: EN, FR, DE, ES & NL

Amidohydrolases Advances in Research and Application 2012 Edition Book Excerpt:

Amidohydrolases—Advances in Research and Application: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Amidohydrolases. The editors have built Amidohydrolases—Advances in Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Amidohydrolases in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Amidohydrolases—Advances in Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Computational Chemistry Methods

Computational Chemistry Methods
Author: Ponnadurai Ramasami
Publsiher: Walter de Gruyter GmbH & Co KG
Total Pages: 194
Release: 2020-08-10
ISBN: 3110631628
Category: Science
Language: EN, FR, DE, ES & NL

Computational Chemistry Methods Book Excerpt:

This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

Cutting Edge Therapies for Cancer in the 21st Century

Cutting Edge Therapies for Cancer in the 21st Century
Author: Pier Paolo Claudio,Paraskevi Vogiatzi
Publsiher: Bentham Science Publishers
Total Pages: 528
Release: 2014-04-23
ISBN: 1608058808
Category: Medical
Language: EN, FR, DE, ES & NL

Cutting Edge Therapies for Cancer in the 21st Century Book Excerpt:

Cancer is a broad group of diseases involving unregulated cell growth with elevated death rates as more people live in old age with mass lifestyle changes occurring in the world. The causes of cancer are diverse, complex, and still only partially understood. The chances of surviving the disease vary remarkably by the type and location of the malignancy and the extent of disease at the start of treatment. Early cancer detection is proving to be a valid approach. Cancer can be detected in a number of ways, including the presence of certain signs and symptoms, screening tests, or medical imaging. Cancer therapy is dynamically changing and revision and change in patient management is constant as our knowledge increases. Cancer is routinely treated with chemotherapy, radiation therapy and surgery. Tailored cancer targeted therapy is becoming an emerging objective of today. In this book, a constructive group of cancer research experts bring the reader their shared vision, to give an extensive and realistic view of individual tumors such as breast, oral, prostate, gastric, and neuroendocrine tumors. New and contemporary terms and concepts in genetics and epigenetics, diet, anticancer treatments, and anticancer drug delivery systems are introduced in this volume. This reference highlights present experimental strategies and key findings that enhance our understanding of cancer and of future therapies. This eBook is aimed at a broad audience of undergraduates, medical students, PhDs, cancer researchers, and also cancer patient families with the goal to conceive a curiosity about the subjects presented that will hopefully lead to further studies.