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Computational Modeling of Drugs Against Alzheimer’s Disease

2023-06-30 Medical
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Release : 2023-06-30
Genre : Medical
Kind : eBook
Book Rating : 112/5 ( reviews)

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Book Synopsis Computational Modeling of Drugs Against Alzheimer’s Disease by : Kunal Roy

Download or read book Computational Modeling of Drugs Against Alzheimer’s Disease written by Kunal Roy. This book was released on 2023-06-30. 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.

Current Trends in Computational Modeling for Drug Discovery

2023-06-30 Science
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Release : 2023-06-30
Genre : Science
Kind : eBook
Book Rating : 715/5 ( reviews)

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Book Synopsis Current Trends in Computational Modeling for Drug Discovery by : Supratik Kar

Download or read book Current Trends in Computational Modeling for Drug Discovery written by Supratik Kar. This book was released on 2023-06-30. 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.

Computational Approaches for Identifying Drugs Against Alzheimer's Disease

2017-05 Computers
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Release : 2017-05
Genre : Computers
Kind : eBook
Book Rating : 385/5 ( reviews)

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Book Synopsis Computational Approaches for Identifying Drugs Against Alzheimer's Disease by : Radha Mahendran

Download or read book Computational Approaches for Identifying Drugs Against Alzheimer's Disease written by Radha Mahendran. This book was released on 2017-05. 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.

Computational and Experimental Studies in Alzheimer's Disease

2024-03-29 Science
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Release : 2024-03-29
Genre : Science
Kind : eBook
Book Rating : 345/5 ( reviews)

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Book Synopsis Computational and Experimental Studies in Alzheimer's Disease by : Kunal Bhattacharya

Download or read book Computational and Experimental Studies in Alzheimer's Disease written by Kunal Bhattacharya. This book was released on 2024-03-29. 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.

Molecular Modeling of the Interaction of Aβ with Neuronal Receptors and Computational Design of Drugs Against Alzheimer's Disease

2014 Acetylcholine
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Release : 2014
Genre : Acetylcholine
Kind : eBook
Book Rating : /5 ( reviews)

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Book Synopsis Molecular Modeling of the Interaction of Aβ with Neuronal Receptors and Computational Design of Drugs Against Alzheimer's Disease by : Noa Maatuk

Download or read book Molecular Modeling of the Interaction of Aβ with Neuronal Receptors and Computational Design of Drugs Against Alzheimer's Disease written by Noa Maatuk. This book was released on 2014. Available in PDF, EPUB and Kindle. Book excerpt:

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