Computational Modeling Of Drugs Against Alzheimers Disease

Author : Kunal Roy
Publisher : Springer Nature
ISBN 13 : 1071633112
Total Pages : 492 pages
Book Rating : 4.13/5 ( download)

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Download or read book Computational Modeling of Drugs Against Alzheimer’s Disease written by Kunal Roy and published by Springer Nature. This book was released on 2023-06-30 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Author : Supratik Kar
Publisher : Springer Nature
ISBN 13 : 3031338715
Total Pages : 311 pages
Book Rating : 4.17/5 ( download)

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Download or read book Current Trends in Computational Modeling for Drug Discovery written by Supratik Kar and published by Springer Nature. This book was released on 2023-06-30 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most advanced techniques, theories, protocols, databases, and tools employed in computer-aided drug design (CADD) covering diverse therapeutic classes. Multiple components of Structure-Based Drug Discovery (SBDD) along with its workflow and associated challenges are presented while potential leads for Alzheimer’s disease (AD), antiviral agents, anti-human immunodeficiency virus (HIV) drugs, and leads for Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) disease are discussed in detail. Computational toxicological aspects in drug design and discovery, screening adverse effects, and existing or future in silico tools are highlighted, while a novel in silico tool, RASAR, which can be a major technique for small to big datasets when not much experimental data are present, is presented. The book also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic targets, metabolomics, and peptides, which are great resources for drug discovery employing drug repurposing, high throughput, and virtual screening. This volume is a great tool for graduates, researchers, academics, and industrial scientists working in the fields of cheminformatics, bioinformatics, computational biology, and chemistry.

Author : Radha Mahendran
Publisher : diplom.de
ISBN 13 : 3960676387
Total Pages : 68 pages
Book Rating : 4.86/5 ( download)

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Download or read book Computational Approaches for Identifying Drugs Against Alzheimer's Disease written by Radha Mahendran and published by diplom.de. This book was released on 2017-03-23 with total page 68 pages. Available in PDF, EPUB and Kindle. Book excerpt: Alzheimer’s disease is the most common form of dementia which is incurable. Although some kinds of memory loss are normal during aging, these are not severe enough to interfere with the level of function. ß-Secretase is an important protease in the pathogenesis of Alzheimer’s disease. Some statine-based peptidomimetics show inhibitory activities to the ß-secretase. To explore the inhibitory mechanism, molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) studies on these analogues were performed. Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of predictive models of biological activities as a function of structural and molecular information of a compound library. The concept of QSAR has typically been used for drug discovery and development and has gained wide applicability for correlating molecular information with not only biological activities but also with other physicochemical properties, which has therefore been termed quantitative structure-property relationship (QSPR). In this study, 3D QSAR and pharmacophore mapping studies were carried out using Accelrys Discovery Studio 2.1. The best nine drugs were selected from the 16 ligands and pharmacophore features were generated.

Author : Kunal Bhattacharya
Publisher : CRC Press
ISBN 13 : 1003857345
Total Pages : 210 pages
Book Rating : 4.41/5 ( download)

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Download or read book Computational and Experimental Studies in Alzheimer's Disease written by Kunal Bhattacharya and published by CRC Press. This book was released on 2024-03-29 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference book compiles the recent advances in computational and experimental modelling to screen and manage Alzheimer’s disease. It covers basic etiopathology and various in vitro and in vivo strategies of disease intervention. The book discusses how computer-aided drug design approaches reduce costs and increase biological test efficiency. It reviews the screening for anti-Alzheimer drugs and biomarker analysis of disease inhibitors. The book also explores mechanistic aspects of neurodegeneration and the use of natural products as therapeutics for Alzheimer’s disease. Key features: Elaborates on the computational modelling of protein target inhibitors as anti-Alzheimer’s agents Explains the role of phytomolecules and natural products in Alzheimer’s therapy Reviews preclinical ways to assess drugs focusing on Alzheimer’s disease Covers biomarker analysis for Alzheimer’s disease Discusses the onset and progression of Alzheimer’s disease The book is meant for professionals, researchers, and students of neuroscience, psychology, and computational neurosciences.

Author : Don Kulasiri
Publisher : World Scientific
ISBN 13 : 1800610130
Total Pages : 416 pages
Book Rating : 4.32/5 ( download)

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Download or read book Alzheimer's Disease: Biology, Biophysics And Computational Models written by Don Kulasiri and published by World Scientific. This book was released on 2022-01-06 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Alzheimer's disease (AD) is the leading cause of dementia and, unfortunately, remains incurable. The social, emotional and financial implications of AD are immeasurable, and about 47 million people worldwide are affected by AD or other forms of dementia. As lifespans are improved by healthcare systems worldwide, age-associated neurodegenerative diseases are imposing an increasing challenge to science. It is becoming imperative for us to understand the causes of these diseases, AD in particular, at molecular and cellular levels. Starting with the broader picture from a biological perspective, this book takes the reader through fascinating dynamics within and outside of neurons in the brain.Alzheimer's Disease: Biology, Biophysics and Computational Models helps the reader to understand AD from mechanistic and biochemical perspectives at intra- and inter-cellular levels. It focuses on biochemical pathways and modeling associated with AD. Some of the recent research on biophysics and computational models related to AD are explained using context-driven computational and mathematical modeling and essential biology is discussed to understand the modeling research.

Author : Radha Mahendran
Publisher : Anchor Academic Publishing
ISBN 13 : 3960671385
Total Pages : 73 pages
Book Rating : 4.81/5 ( download)

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Download or read book Computational Approaches for Identifying Drugs Against Alzheimer's Disease written by Radha Mahendran and published by Anchor Academic Publishing. This book was released on 2017-05 with total page 73 pages. Available in PDF, EPUB and Kindle. Book excerpt: Alzheimer’s disease is the most common form of dementia which is incurable. Although some kinds of memory loss are normal during aging, these are not severe enough to interfere with the level of function. ß-Secretase is an important protease in the pathogenesis of Alzheimer’s disease. Some statine-based peptidomimetics show inhibitory activities to the ß-secretase. To explore the inhibitory mechanism, molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) studies on these analogues were performed. Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of predictive models of biological activities as a function of structural and molecular information of a compound library. The concept of QSAR has typically been used for drug discovery and development and has gained wide applicability for correlating molecular information with not only biological activities but also with other physicochemical properties, which has therefore been termed quantitative structure-property relationship (QSPR). In this study, 3D QSAR and pharmacophore mapping studies were carried out using Accelrys Discovery Studio 2.1. The best nine drugs were selected from the 16 ligands and pharmacophore features were generated.

Author : Abha Sharma
Publisher : Springer Nature
ISBN 13 : 981996038X
Total Pages : 447 pages
Book Rating : 4.85/5 ( download)

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Download or read book Natural Product-based Synthetic Drug Molecules in Alzheimer's Disease written by Abha Sharma and published by Springer Nature. This book was released on 2024-01-16 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book illustrates the importance of natural products as the source for the development of novel drugs for the treatment of neurodegenerative disorders, including Alzheimer's disease. It also highlights the role of reactive oxygen species and altered metal homeostasis in the progression of Alzheimer’s disease and examines the potential of antioxidants and anti-chelating agents in the clinical intervention of neurodegenerative diseases. The book also discusses the role of neuroinflammation in the pathogenesis of Alzheimer’s disease. The chapters provide information about the drug targets, progress in the development of natural product-based therapeutics, biomarkers, fluorescent diagnostic tools, and theranostic for Alzheimer's disease. The book also provides information about the design and synthesis of natural product-based derivatives against the various targets of Alzheimer's disease including epigenetic targets and the metal dyshomeostasis hypothesis. Cutting across different disciplines, this book is a valuable source for neuroscientists, chemical biologists, pharmaceutical researchers, and synthetic biologists.

Author : Rupesh Kumar Gautam
Publisher : Elsevier
ISBN 13 : 0323993737
Total Pages : 364 pages
Book Rating : 4.39/5 ( download)

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Download or read book Computational Approaches in Drug Discovery, Development and Systems Pharmacology written by Rupesh Kumar Gautam and published by Elsevier. This book was released on 2023-02-15 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Approaches in Drug Discovery, Development and Systems Pharmacology provides detailed information on the use of computers in advancing pharmacology. Drug discovery and development is an expensive and time-consuming practice, and computer-assisted drug design (CADD) approaches are increasing in popularity in the pharmaceutical industry to accelerate the process. With the help of CADD, scientists can focus on the most capable compounds so that they can minimize the synthetic and biological testing pains. This book examines success stories of CADD in drug discovery, drug development and role of CADD in system pharmacology, additionally including a focus on the role of artificial intelligence (AI) and deep machine learning in pharmacology. Computational Approaches in Drug Discovery, Development and Systems Pharmacology will be useful to researchers and academics working in the area of CADD, pharmacology and Bioinformatics. Explains computer use in pharmacology using real-life case studies Provides information about biological activities using computer technology, thus allowing for the possible reduction of the number of animals used for research Describes the role of AI in pharmacology and applications of CADD in various diseases

Author : Janmenjoy Nayak
Publisher : Springer Nature
ISBN 13 : 3030719758
Total Pages : 461 pages
Book Rating : 4.53/5 ( download)

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Download or read book Advanced Machine Learning Approaches in Cancer Prognosis written by Janmenjoy Nayak and published by Springer Nature. This book was released on 2021-05-29 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces a variety of advanced machine learning approaches covering the areas of neural networks, fuzzy logic, and hybrid intelligent systems for the determination and diagnosis of cancer. Moreover, the tactical solutions of machine learning have proved its vast range of significance and, provided novel solutions in the medical field for the diagnosis of disease. This book also explores the distinct deep learning approaches that are capable of yielding more accurate outcomes for the diagnosis of cancer. In addition to providing an overview of the emerging machine and deep learning approaches, it also enlightens an insight on how to evaluate the efficiency and appropriateness of such techniques and analysis of cancer data used in the cancer diagnosis. Therefore, this book focuses on the recent advancements in the machine learning and deep learning approaches used in the diagnosis of different types of cancer along with their research challenges and future directions for the targeted audience including scientists, experts, Ph.D. students, postdocs, and anyone interested in the subjects discussed.

Author : Anna Maria Almerico
Publisher : Mdpi AG
ISBN 13 : 9783036527796
Total Pages : 414 pages
Book Rating : 4.96/5 ( download)

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Download or read book Computational Approaches written by Anna Maria Almerico and published by Mdpi AG. This book was released on 2022-01-03 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs.