Quick Guideline For Computational Drug Design

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Quick Guideline For Computational Drug Design Revised Edition

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Author : Sheikh Arslan Sehgal
language : en
Publisher: Bentham Science Publishers
Release Date : 2021-09-16

Quick Guideline For Computational Drug Design Revised Edition written by Sheikh Arslan Sehgal and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-16 with Science categories.

Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen. This quick guideline is intended as a basic manual for beginner students and instructors involved in bioinformatics and computational chemistry courses. Readers will learn the basics of structural bioinformatics, primary and secondary analysis and prediction, structural visualization, structural analysis and molecular docking. The book provides the reader an easy to read summary of the tools and techniques in structural bioinformatics as well as their limitations. In this revised edition, the authors have updated information in a number of chapters with a specific focus on the section on protein structure visualization and evaluation. Additional information on protein-ligand interaction studies has also been provided in this new edition. Therefore, the book is a useful handbook for aspiring scholars who wish to learn the basic concepts in computational analysis of biomolecules.

Quick Guideline For Computational Drug Design

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Author : Sheikh Arslan Sehgal
language : en
Publisher: Bentham Science Publishers
Release Date : 2018-02-16

Quick Guideline For Computational Drug Design written by Sheikh Arslan Sehgal and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-02-16 with Science categories.

Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen. This quick guideline is intended as a basic manual for beginner students and instructors involved in bioinformatics and computational chemistry courses. Readers will learn the basics of structural bioinformatics, primary and secondary analysis and prediction, structural visualization, structural analysis and molecular docking. Therefore, the book is a useful handbook for aspiring scholars who wish to learn the basic concepts in computational analysis of biomolecules.

Quick Guideline For Computational Drug Design Revised Edition

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Author : Sheikh Arslan Sehgal;
language : en
Publisher:
Release Date : 2021-09-16

Quick Guideline For Computational Drug Design Revised Edition written by Sheikh Arslan Sehgal; and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-16 with categories.

Computational Drug Designing Structural Bioinformatics Homology Modeling Molecular Docking Primary Sequence Analyses Protparam Secondary Structural Analyses Profunc Ab initio modeling I-Tasser Structural Evaluation ERRAT Rampage Structure Visualization Chimera AutoDock Tools AutoDock Vina GOLD proteomics Computational Chemistry

Advanced Ai Techniques And Applications In Bioinformatics

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Author : Loveleen Gaur
language : en
Publisher: CRC Press
Release Date : 2021-10-17

Advanced Ai Techniques And Applications In Bioinformatics written by Loveleen Gaur and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-10-17 with Technology & Engineering categories.

The advanced AI techniques are essential for resolving various problematic aspects emerging in the field of bioinformatics. This book covers the recent approaches in artificial intelligence and machine learning methods and their applications in Genome and Gene editing, cancer drug discovery classification, and the protein folding algorithms among others. Deep learning, which is widely used in image processing, is also applicable in bioinformatics as one of the most popular artificial intelligence approaches. The wide range of applications discussed in this book are an indispensable resource for computer scientists, engineers, biologists, mathematicians, physicians, and medical informaticists. Features: Focusses on the cross-disciplinary relation between computer science and biology and the role of machine learning methods in resolving complex problems in bioinformatics Provides a comprehensive and balanced blend of topics and applications using various advanced algorithms Presents cutting-edge research methodologies in the area of AI methods when applied to bioinformatics and innovative solutions Discusses the AI/ML techniques, their use, and their potential for use in common and future bioinformatics applications Includes recent achievements in AI and bioinformatics contributed by a global team of researchers

Molecular Docking For Computer Aided Drug Design

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Author : Mohane S. Coumar
language : en
Publisher: Academic Press
Release Date : 2021-02-17

Molecular Docking For Computer Aided Drug Design written by Mohane S. Coumar and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-17 with Medical categories.

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. - Covers the latest information and state-of-the-art trends in structure-based drug design methodologies - Includes case studies that complement learning - Consolidates fundamental concepts and current practice of molecular docking into one convenient resource

Computational Methods For Rational Drug Design

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Author : Mithun Rudrapal
language : en
Publisher: John Wiley & Sons
Release Date : 2025-02-05

Computational Methods For Rational Drug Design written by Mithun Rudrapal and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-05 with Science categories.

Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessments In silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discovery Rational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeutics Protac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokinetics Helping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.

Physico Chemical Aspects Of Dosage Forms And Biopharmaceutics

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Author : Amit Kumar Nayak
language : en
Publisher: Elsevier
Release Date : 2024-08-09

Physico Chemical Aspects Of Dosage Forms And Biopharmaceutics written by Amit Kumar Nayak and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-09 with Medical categories.

Physico-Chemical Aspects of Dosage Forms and Biopharmaceutics: Recent and Future Trends in Pharmaceutics, Volume Two explores aspects of pharmaceutics with an original approach that focuses on technology, novelties and future trends. The field of pharmaceutics is highly dynamic and rapidly expanding day-by-day, so it demands a variety of amplified efforts for designing and developing pharmaceutical processes and formulation strategies. Readers will find practical information for conducting research in pharmaceutics that is ideal for researchers in academia and industry as well as advanced graduate students in pharmaceutics. In addition, the book discusses the most recent developments in biopharmaceutics, including important and exciting areas such as solubility of drugs, pharmaceutical granulation, routes of drug administration, drug absorption, bioavailability and bioequivalence. - Provides extensive details on the most recent developments in biopharmaceutics - Contains contributions from leading experts from academia, research, industry and regulatory agencies - Includes high quality illustrations, flow charts and tables for easier understanding of the concepts - Discusses practical examples and research case studies

A Practical Guide To Rational Drug Design

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Author : Sun Hongmao
language : en
Publisher: Woodhead Publishing
Release Date : 2015-10-05

A Practical Guide To Rational Drug Design written by Sun Hongmao and has been published by Woodhead Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-05 with Medical categories.

This book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one has high or low levels of structural information; how to derive hits from competitors' active compounds or from natural ligands of the targets; how to springboard from competitors' SAR knowledge in lead optimization; how to design a ligand to interfere with protein-protein interactions by correctly examining the PPI interface; how to circumvent IP blockage using data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by focusing on data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design focuses on computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes. - Discusses various tactics applicable to daily drug design - Readers can download the materials used in the book, including structures, scripts, raw data, protocols, and codes, making this book suitable resource for short courses or workshops - Offers a unique viewpoint on drug discovery research due to the author's cross-discipline education background - Explores the author's rich experiences in both pharmaceutical and academic settings

Traditional And Herbal Medicines For Covid 19

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Author : Jen-Tsung Chen
language : en
Publisher: CRC Press
Release Date : 2024-11-11

Traditional And Herbal Medicines For Covid 19 written by Jen-Tsung Chen and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-11 with Science categories.

Traditional and Herbal Medicines for COVID-19 explores promising ways to manage COVID-19, post-COVID, and long-COVID conditions. The management plans are based on anti-virus activity, anti-inflammatory activity, and diverse health benefits of traditional and herbal medicines through a comprehensive summarization of scientific literature by experts in the field. It presents views of the origin of SARS-CoV-2 and emerging variants and pathogenesis, and it proposes renewed strategies of diagnostics, vaccines, and therapies. Features Provides an in-depth analysis to illustrate the impact of traditional and herbal medicines on crucial protein targets responsible for the progress of SARS-CoV-2 infection and symptoms. Presents knowledge of SARS-CoV-2 and variants. Explores strategies to manage COVID-19, post-COVID, and long-COVID by applying traditional herbal medicines. Illustrates molecular aspects of anti-coronavirus activity from traditional herbal medicines. Features information on molecular mechanisms of target proteins involving COVID-19 infection and symptoms. Traditional and Herbal Medicines for COVID-19 serves as an ideal reference for researchers and experts in the fields of virology, epidemiology, drug discovery, and traditional herbal medicine. This book aligns with supporting the Sustainable Development Goals (SDGs) 2030 by the United Nations to establish “Good Health and Well-Being.”

Cheminformatics Qsar And Machine Learning Applications For Novel Drug Development

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Author : Kunal Roy
language : en
Publisher: Elsevier
Release Date : 2023-05-23

Cheminformatics Qsar And Machine Learning Applications For Novel Drug Development written by Kunal Roy and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-23 with Medical categories.

Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to establishing the foundations of the area. Here recent trends in computational modeling of drugs are presented. Other topics present in this part include QSAR in medicinal chemistry, structure-based methods, chemoinformatics and chemometric approaches, and machine learning methods in drug design. The second part focuses on methods and case studies including molecular descriptors, molecular similarity, structure-based based screening, homology modeling in protein structure predictions, molecular docking, stability of drug receptor interactions, deep learning and support vector machine in drug design. The third part of the book is dedicated to special topics, including dedicated chapters on topics ranging from de design of green pharmaceuticals to computational toxicology. The final part is dedicated to present the available tools and databases, including QSAR databases, free tools and databases in ligand and structure-based drug design, and machine learning resources for drug design. The final chapters discuss different web servers used for identification of various drug candidates. - Presents chemometrics, cheminformatics and machine learning methods under a single reference - Showcases the different structure-based, ligand-based and machine learning tools currently used in drug design - Highlights special topics of computational drug design and available tools and databases