Progress And Challenges In Computational Structure Based Design And Development Of Biologic Drugs
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Progress And Challenges In Computational Structure Based Design And Development Of Biologic Drugs
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Author : Traian Sulea
language : en
Publisher: Frontiers Media SA
Release Date : 2024-03-25
Progress And Challenges In Computational Structure Based Design And Development Of Biologic Drugs written by Traian Sulea and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-25 with Science categories.
Applications Of Computational Tools In Drug Design And Development
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Author : S.N. Koteswara Rao G.
language : en
Publisher: Springer Nature
Release Date : 2025-05-20
Applications Of Computational Tools In Drug Design And Development written by S.N. Koteswara Rao G. and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-20 with Medical categories.
This book provides a comprehensive overview of the role of computers and computational tools at different stages of drug discovery and development. Designed to meet the needs of a beginner to advanced learner, the book provides the information on the tools, how they work, with the latest reports on applications in drug design, drug delivery and building network pharmacology models. Part I explores the pharmacological aspects, covering computational simulation of drug delivery at the molecular level, modeling for formulation design, and the revolutionary use of computational fluid dynamics in pharmaceutical processes. Specific applications such as pharmaceutical die filling processes, inhalation aerosol-based targeted drug delivery, and the development of inhalation compounds using in silico modeling tools are discussed. The use of computational tools in cheminformatics and their application in preformulation perspectives for drug delivery are also included. Part II expands the scope to include solubility prediction, absorption prediction, protein binding prediction, bio-permeability prediction, toxicity prediction, and metabolism prediction. It covers the identification of potential sites of metabolism in lead molecules and computer-assisted simulation studies to understand drug-polymer interactions. Recent advances in drug likeness screening using software and online tools are also reviewed. Part III focuses on specific therapeutic areas. The chapters examine the mechanistic understanding of anti-Alzheimer's agents, the design of novel antidiabetic agents, and the exploration of drug design for atherosclerosis. It also covers modern computational intelligence-based drug repurposing for cancer therapeutics, computational analyses of the mechanism of action of antiepileptic agents, and rational approaches for designing antihypertensive agents. The final chapters explore drug discovery and computational strategies in the context of multi-drug-resistant tuberculosis and the network pharmacology approach to uncover the pharmacological mechanisms of natural products. The book will be a useful reference for researchers, students and professionals in the field of life sciences, chemistry, pharmaceutics and bioinformatics.
Mathematical Challenges From Theoretical Computational Chemistry
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Author : Committee on Mathematical Challenges from Computational Chemistry
language : en
Publisher: National Academies Press
Release Date : 1995-04-12
Mathematical Challenges From Theoretical Computational Chemistry written by Committee on Mathematical Challenges from Computational Chemistry and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-04-12 with Mathematics categories.
Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
In Vitro Biological Assessment Of Basic Indole Derivatives
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Author : Pavan Prabhakar Chinchole
language : en
Publisher: Deep Science Publishing
Release Date : 2025-04-24
In Vitro Biological Assessment Of Basic Indole Derivatives written by Pavan Prabhakar Chinchole and has been published by Deep Science Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-04-24 with Medical categories.
This book provides an in-depth study of the synthesis, characterization, and biological evaluation of newly designed Schiff bases derived from N-benzyl isatin. This book primarily focuses on addressing inflammation and pain, two significant concerns in therapeutic research. Through a carefully structured synthetic strategy, we developed a series of derivatives and validated their structures using advanced analytical techniques such as FT-IR spectroscopy, ¹H-NMR, UV-Visible spectrometry, and Thin Layer Chromatography. Their anti-inflammatory efficacy was assessed through an in-vitro protein denaturation method, offering important preliminary insights into their biological potential. This study bridges the fields of synthetic organic chemistry and pharmacological evaluation, highlighting the importance of interdisciplinary approaches in modern drug discovery. A detailed examination of the relationship between structural modifications and biological activity forms a core part of this research. We believe this book will serve as a valuable reference for researchers, students, and professionals in medicinal chemistry, pharmaceutical sciences, and related disciplines. We are deeply grateful to all those who supported and encouraged this work. It is our hope that the findings presented here will inspire further research and spark new ideas in the field of drug design and development.
Adaptive Systems In Drug Design
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Author : Gisbert Schneider
language : en
Publisher: CRC Press
Release Date : 2002-10-01
Adaptive Systems In Drug Design written by Gisbert Schneider and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-10-01 with Science categories.
A brief history of drug design presented to make clear that there are fashions in this important field and that they change rather rapidly. This is due in part to the fact that the way that a new paradigm is accepted in a drug company often does not depend on its scientific merit alone.
Computational Modeling Of Drugs Against Alzheimer S Disease
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Author : Kunal Roy
language : en
Publisher: Springer Nature
Release Date : 2023-06-30
Computational Modeling Of Drugs Against Alzheimer S Disease written by Kunal Roy and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-30 with Medical categories.
This second edition volume expands on the previous edition with updated descriptions on different computational methods encompassing ligand-based, structure-based, and combined approaches with their recent applications in anti-Alzheimer drug design. Different background topics like recent advancements in research on the development of novel therapies and their implications in the treatment of Alzheimer’s Disease (AD) have also been covered for completeness. Special topics like basic information science methods for insight into neurodegenerative pathogenesis, drug repositioning and network pharmacology, and online tools to predict ADMET behavior with reference to anti-Alzheimer drug development have also been included. In the Neuromethods series style, chapter include the kind of detail and key advice from the specialists needed to get successful results in your laboratory. Cutting-edge and thorough, Computational Modeling of Drugs Against Alzheimer’s Disease, Second Edition is a valuable resource for all researchers and scientists interested in learning more about this important and developing field.
Encyclopedia Of Bioinformatics And Computational Biology
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Author :
language : en
Publisher: Elsevier
Release Date : 2018-08-21
Encyclopedia Of Bioinformatics And Computational Biology written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-08-21 with Medical categories.
Encyclopedia of Bioinformatics and Computational Biology: ABC of Bioinformatics, Three Volume Set combines elements of computer science, information technology, mathematics, statistics and biotechnology, providing the methodology and in silico solutions to mine biological data and processes. The book covers Theory, Topics and Applications, with a special focus on Integrative –omics and Systems Biology. The theoretical, methodological underpinnings of BCB, including phylogeny are covered, as are more current areas of focus, such as translational bioinformatics, cheminformatics, and environmental informatics. Finally, Applications provide guidance for commonly asked questions. This major reference work spans basic and cutting-edge methodologies authored by leaders in the field, providing an invaluable resource for students, scientists, professionals in research institutes, and a broad swath of researchers in biotechnology and the biomedical and pharmaceutical industries. Brings together information from computer science, information technology, mathematics, statistics and biotechnology Written and reviewed by leading experts in the field, providing a unique and authoritative resource Focuses on the main theoretical and methodological concepts before expanding on specific topics and applications Includes interactive images, multimedia tools and crosslinking to further resources and databases
Multidisciplinary Research In Arts Science Commerce Volume 11
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Author : Chief Editor- Biplab Auddya, Editor- Dr. B. Deepa, Dr. Navanath Wajage, Prof. Dr. Alok Satsangi, Vidwan Manjesh M, Dr. Savitha V, Kera Ram
language : en
Publisher: The Hill Publication
Release Date : 2024-11-05
Multidisciplinary Research In Arts Science Commerce Volume 11 written by Chief Editor- Biplab Auddya, Editor- Dr. B. Deepa, Dr. Navanath Wajage, Prof. Dr. Alok Satsangi, Vidwan Manjesh M, Dr. Savitha V, Kera Ram and has been published by The Hill Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-05 with Antiques & Collectibles categories.
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.
Applied Case Studies And Solutions In Molecular Docking Based Drug Design
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Author : Dastmalchi, Siavoush
language : en
Publisher: IGI Global
Release Date : 2016-05-11
Applied Case Studies And Solutions In Molecular Docking Based Drug Design written by Dastmalchi, Siavoush and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-05-11 with Medical categories.
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.