Computational Modeling of Drugs Against Alzheimer’s Disease - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Modeling of Drugs Against Alzheimer’s Disease write by Kunal Roy. This book was released on 2023-06-30. Computational Modeling of Drugs Against Alzheimer’s Disease available in PDF, EPUB and Kindle. 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
Current Trends in Computational Modeling for Drug Discovery - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Current Trends in Computational Modeling for Drug Discovery write by Supratik Kar. This book was released on 2023-06-30. Current Trends in Computational Modeling for Drug Discovery available in PDF, EPUB and Kindle. 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
Computational Approaches for Identifying Drugs Against Alzheimer's Disease - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Approaches for Identifying Drugs Against Alzheimer's Disease write by Radha Mahendran. This book was released on 2017-03-23. Computational Approaches for Identifying Drugs Against Alzheimer's Disease available in PDF, EPUB and Kindle. 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
Computational and Experimental Studies in Alzheimer's Disease - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational and Experimental Studies in Alzheimer's Disease write by Kunal Bhattacharya. This book was released on 2024-03-29. Computational and Experimental Studies in Alzheimer's Disease available in PDF, EPUB and Kindle. 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.
Computational Modeling of Anti-aggregation Effect of Non-steroidal Anti-inflammatory Drugs in Alzheimer's Amyloidogenesis
Computational Modeling of Anti-aggregation Effect of Non-steroidal Anti-inflammatory Drugs in Alzheimer's Amyloidogenesis - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Modeling of Anti-aggregation Effect of Non-steroidal Anti-inflammatory Drugs in Alzheimer's Amyloidogenesis write by Wenling Eileen Chang. This book was released on 2011. Computational Modeling of Anti-aggregation Effect of Non-steroidal Anti-inflammatory Drugs in Alzheimer's Amyloidogenesis available in PDF, EPUB and Kindle. Alzheimer's disease (AD) represents a growing biomedical, social, and economical problem. Millions of people have suffered from the disease globally. Studies have shown that aggregated forms of amyloid [beta] peptide adversely affect neuronal function and may represent the causative agent in AD. It has been demonstrated that chronic treatment with ibuprofen and naproxen reduces the risk of AD and improves the behavioral impairment for patients with AD. This dissertation utilizes high performance parallel computing, all-atom molecular dynamics simulation, and protein-ligand docking to understand the mechanism of the anti-aggregation effect of ibuprofen and naproxen in Alzheimer's amyloidogenesis. The results reveal different mechanisms of ligand binding to the monomers and fibrils formed by A[beta] peptides implicated in AD. Binding to A[beta] monomers is mostly governed by ligand-amino acid interactions, whereas binding to the fibril is determined by the fibril surface geometry and interligand interactions. The antiaggregation effect of ibuprofen and naproxen is explained by direct competition between these ligands and incoming A[beta] peptides for binding to the fibril.
