Computational Modeling Of Drugs Against Alzheimer S Disease

Author : Kunal Roy
Publisher : Springer Nature
Page : 492 pages
File Size : 43,6 Mb
Release : 2023-06-30
Category : Medical
ISBN : 9781071633113

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Computational Modeling of Drugs Against Alzheimer’s Disease by Kunal Roy Pdf

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 : Radha Mahendran,Suganya Jeyabaskar,Astral Gabriella Francis
Publisher : diplom.de
Page : 68 pages
File Size : 48,8 Mb
Release : 2017-03-23
Category : Medical
ISBN : 9783960676386

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Computational Approaches for Identifying Drugs Against Alzheimer's Disease by Radha Mahendran,Suganya Jeyabaskar,Astral Gabriella Francis Pdf

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 : Supratik Kar,Jerzy Leszczynski
Publisher : Springer Nature
Page : 311 pages
File Size : 52,5 Mb
Release : 2023-06-30
Category : Science
ISBN : 9783031338717

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Current Trends in Computational Modeling for Drug Discovery by Supratik Kar,Jerzy Leszczynski Pdf

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 : Kunal Bhattacharya,Atanu Bhattacharjee
Publisher : CRC Press
Page : 210 pages
File Size : 45,7 Mb
Release : 2024-03-29
Category : Science
ISBN : 9781003857341

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Computational and Experimental Studies in Alzheimer's Disease by Kunal Bhattacharya,Atanu Bhattacharjee Pdf

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,Jingyi Liang
Publisher : Wspc (Europe)
Page : 480 pages
File Size : 47,9 Mb
Release : 2022-01-06
Category : Medical
ISBN : 1800610114

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Alzheimer's Disease: Biology, Biophysics and Computational Models by Don Kulasiri,Jingyi Liang Pdf

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 : Thimmaiah Govindaraju
Publisher : Royal Society of Chemistry
Page : 695 pages
File Size : 43,8 Mb
Release : 2022-01-04
Category : Medical
ISBN : 9781839162749

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Alzheimer's Disease by Thimmaiah Govindaraju Pdf

Alzheimer’s disease is an increasingly common form of dementia and despite rising interest in discovery of novel treatments and investigation into aetiology, there are no currently approved treatments that directly tackle the causes of the condition. Due to its multifactorial pathogenesis, current treatments are directed against symptoms and even precise diagnosis remains difficult as the majority of cases are diagnosed symptomatically and usually confirmed only by autopsy. Alzheimer’s Disease: Recent Findings in Pathophysiology, Diagnostic and Therapeutic Modalities provides a comprehensive overview from aetiology and neurochemistry to diagnosis, evaluation and management of Alzheimer's disease, and latest therapeutic approaches. Intended to provide an introduction to all aspects of the disease and latest developments, this book is ideal for students, postgraduates and researchers in neurochemistry, neurological drug discovery and Alzheimer’s disease.

Author : Atta-ur-Rahman,Muhammad Iqbal Choudhary
Publisher : Elsevier
Page : 784 pages
File Size : 47,7 Mb
Release : 2015-06-27
Category : Science
ISBN : 9780128039601

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Drug Design and Discovery in Alzheimer’s Disease by Atta-ur-Rahman,Muhammad Iqbal Choudhary Pdf

Drug Design and Discovery in Alzheimer’s Disease includes expert reviews of recent developments in Alzheimer's disease (AD) and neurodegenerative disease research. Originally published by Bentham as Frontiers in Drug Design and Discovery, Volume 6and now distributed by Elsevier, this compilation of the sixteen articles, written by leading global researchers, focuses on key developments in the understanding of the disease at molecular levels, identification and validation of molecular targets, as well as innovative approaches towards drug discovery, development, and delivery. Beginning with an overview of AD pharmacotherapy and existing blockbuster drugs, the reviews cover the potential of both natural and synthetic small molecules; the role of cholinesterases in the on-set and progression of AD and their inhibition; the role of beta-site APP clearing enzyme-1 (BACE-1) in the production of ß-amyloid proteins, one of the key reasons of the progression of AD; and other targets identified for AD drug discovery. Edited and written by leading experts in Alzheimer’s disease (AD) and other neurodegenerative disease drug development Describes existing drugs for AD and current molecular understanding of the condition Reviews recent advances in the field, including coverage of cholinesterases, BACE-1, and other drug development targets

Author : Institute of Medicine,Board on Health Sciences Policy,Forum on Neuroscience and Nervous System Disorders
Publisher : National Academies Press
Page : 118 pages
File Size : 54,8 Mb
Release : 2014-02-06
Category : Medical
ISBN : 9780309292498

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Improving and Accelerating Therapeutic Development for Nervous System Disorders by Institute of Medicine,Board on Health Sciences Policy,Forum on Neuroscience and Nervous System Disorders Pdf

Improving and Accelerating Therapeutic Development for Nervous System Disorders is the summary of a workshop convened by the IOM Forum on Neuroscience and Nervous System Disorders to examine opportunities to accelerate early phases of drug development for nervous system drug discovery. Workshop participants discussed challenges in neuroscience research for enabling faster entry of potential treatments into first-in-human trials, explored how new and emerging tools and technologies may improve the efficiency of research, and considered mechanisms to facilitate a more effective and efficient development pipeline. There are several challenges to the current drug development pipeline for nervous system disorders. The fundamental etiology and pathophysiology of many nervous system disorders are unknown and the brain is inaccessible to study, making it difficult to develop accurate models. Patient heterogeneity is high, disease pathology can occur years to decades before becoming clinically apparent, and diagnostic and treatment biomarkers are lacking. In addition, the lack of validated targets, limitations related to the predictive validity of animal models - the extent to which the model predicts clinical efficacy - and regulatory barriers can also impede translation and drug development for nervous system disorders. Improving and Accelerating Therapeutic Development for Nervous System Disorders identifies avenues for moving directly from cellular models to human trials, minimizing the need for animal models to test efficacy, and discusses the potential benefits and risks of such an approach. This report is a timely discussion of opportunities to improve early drug development with a focus toward preclinical trials.

Author : Jeffrey Cummings,Jefferson Kinney,Howard Fillit
Publisher : Cambridge University Press
Page : 575 pages
File Size : 54,6 Mb
Release : 2022-03-31
Category : Business & Economics
ISBN : 9781108838665

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Alzheimer's Disease Drug Development by Jeffrey Cummings,Jefferson Kinney,Howard Fillit Pdf

Provides a definitive overview of the complex ecosystem facilitating Alzheimer's Disease drug research and development. Demonstrates a drug's journey from in the lab, clinical trial testing, regulatory review, and marketing by pharmaceutical companies. Details the use of artificial intelligence, clinical trial management, and financing models.

Author : Abha Sharma,Gyan Prakash Modi
Publisher : Springer Nature
Page : 447 pages
File Size : 51,7 Mb
Release : 2024-01-16
Category : Medical
ISBN : 9789819960385

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Natural Product-based Synthetic Drug Molecules in Alzheimer's Disease by Abha Sharma,Gyan Prakash Modi Pdf

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 : Adeboye Adejare
Publisher : Academic Press
Page : 316 pages
File Size : 40,6 Mb
Release : 2016-09-20
Category : Medical
ISBN : 9780128028117

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Drug Discovery Approaches for the Treatment of Neurodegenerative Disorders by Adeboye Adejare Pdf

Drug Discovery Approaches for the Treatment of Neurodegenerative Disorders: Alzheimer’s Disease examines the drug discovery process for neurodegenerative diseases by focusing specifically on Alzheimer’s Disease and illustrating the paradigm necessary to ensure future research and treatment success. The book explores diagnosis, epidemiology, drug discovery strategies, current therapeutics, and much more to provide a holistic approach to the discovery, development, and treatment of Alzheimer’s Disease. Through its coverage of the latest research in targeted drug design, preclinical studies, and mouse and rat models, the book is a must-have resource for all pharmaceutical scientists, pharmacologists, neuroscientists, and clinical researchers working in this area. It illustrates why these drugs tend to fail at the clinical stage, and examines Alzheimer’s Disease within the overall context of improving the drug discovery process for the treatment of other neurodegenerative disorders. Provides a compilation of chemical considerations required in drug discovery for the treatment of neurodegenerative disorders Examines different classes of compounds currently being used in discovery and development stages Explores in vitro and in vivo models with respect to their ability to translate these models to human conditions Distills the most significant information across multiple areas of Alzheimer’s disease research to provide a single, comprehensive, and balanced resource

Author : Fei Ye,Zhongjie Liang,Ylvain Broussy
Publisher : Frontiers Media SA
Page : 205 pages
File Size : 42,9 Mb
Release : 2022-08-17
Category : Science
ISBN : 9782889767847

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Computer-Aided Drug Design: Drug Discovery, Computational Modelling, and Artificial Intelligence by Fei Ye,Zhongjie Liang,Ylvain Broussy Pdf

Author : Janmenjoy Nayak,Margarita N. Favorskaya,Seema Jain,Bighnaraj Naik,Manohar Mishra
Publisher : Springer Nature
Page : 461 pages
File Size : 44,9 Mb
Release : 2021-05-29
Category : Technology & Engineering
ISBN : 9783030719753

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Advanced Machine Learning Approaches in Cancer Prognosis by Janmenjoy Nayak,Margarita N. Favorskaya,Seema Jain,Bighnaraj Naik,Manohar Mishra Pdf

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 : Keshav Lalit Ameta,Ravi Kant,Andrea Penoni,Angelo Maspero,Luca Scapinello
Publisher : Springer Nature
Page : 465 pages
File Size : 42,7 Mb
Release : 2022-04-23
Category : Science
ISBN : 9789811908323

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N-Heterocycles by Keshav Lalit Ameta,Ravi Kant,Andrea Penoni,Angelo Maspero,Luca Scapinello Pdf

This book presents an overview of the recent advancements for the synthesis of small- and medium-sized azaheterocycles, including pyrroles, indoles, pyrimidines, pyridines, pyrrolidines, imidazoles, pyrazoles, pyrazolines, lactams, and 1,2,3-triazoles, which are significant scaffolds for compounds with pharmaceutical uses. The book also discusses various properties and performance attributes of azaheterocycles including their bioactivity and synthetic strategies. Given the contents, the book will be a valuable reference for students, researchers, and professionals interested in organic synthesis and medicinal chemistry.

Author : Panagiotis Vlamos,Ilias S. Kotsireas,Ioannis Tarnanas
Publisher : Springer Nature
Page : 1031 pages
File Size : 49,6 Mb
Release : 2023-07-25
Category : Medical
ISBN : 9783319759227

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Handbook of Computational Neurodegeneration by Panagiotis Vlamos,Ilias S. Kotsireas,Ioannis Tarnanas Pdf

The Handbook of Computational Neurodegeneration provides a comprehensive overview of the field and thus bridges the gap between standard textbooks of research on neurodegeneration and dispersed publications for specialists that have a narrowed focus on computational methods to study this complicated process. The handbook reviews the central issues and methodological approaches related to the field for which the reader pursues a thorough overview. It also conveys more advanced knowledge, thus serving both as an introductory text and as a starting point for an in-depth study of a specific area, as well as a quick reference source for the expert by reflecting the state of the art and future prospects. The book includes topics that are usually missing in standard textbooks and that are only marginally represented in the specific literature. The broad scope of this handbook is reflected by five major parts that facilitate an integration of computational concepts, methods and applications in the study of neurodegeneration. Each part is intended to stand on its own, giving an overview of the topic and the most important problems and approaches, which are supported by examples, practical applications, and proposed methodologies. The basic concepts and knowledge, standard procedures and methods are presented, as well as recent advances and new perspectives.