Molecular Modeling of the Interaction of Aβ with Neuronal Receptors and Computational Design of Drugs Against Alzheimer's Disease
Author: Noa Maatuk
Publisher:
Published: 2014
Total Pages:
ISBN-13:
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Computational Modeling of Drugs Against Alzheimer’s Disease
Author: Kunal Roy
Publisher: Springer Nature
Published: 2023-06-30
Total Pages: 492
ISBN-13: 1071633112
DOWNLOAD EBOOKThis 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.
Computational Approaches for Identifying Drugs Against Alzheimer's Disease
Author: Radha Mahendran
Publisher: Anchor Academic Publishing
Published: 2017-05
Total Pages: 73
ISBN-13: 3960671385
DOWNLOAD EBOOKAlzheimer’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
Author: Kunal Bhattacharya
Publisher: CRC Press
Published: 2024-03-29
Total Pages: 210
ISBN-13: 1003857345
DOWNLOAD EBOOKThis 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.
Structure-Based Drug Design for Diagnosis and Treatment of Neurological Diseases
Author: Rona R. Ramsay
Publisher: Frontiers Media SA
Published: 2017-03-24
Total Pages: 206
ISBN-13: 2889451232
DOWNLOAD EBOOKEuropean Cooperation in Science and Technology (COST) supports the collaboration of nationally-funded science and technology research through the creation of networks. COST is the longest-running European framework enhancing cooperation among researchers, engineers and scholars across Europe. The COST Action CM1103 “Structure-based drug design for diagnosis and treatment of neurological diseases: dissecting and modulating complex function in the monoaminergic systems of the brain” is a good example of the advances possible through interdisciplinary collaboration on difficult problems. COST Action CM1103 brought together 28 research groups from 18 countries to collaborate for four years on multi-target drug design for complex neuropathologies. The interdisciplinary expertise of the members is spans the range from computational enzymology to human studies, providing outstanding opportunities for the interdisciplinary development of trainees, and is reflected in the articles in this e-book. This Research Topic covers progress in multi-target drug design for the complex neuropathologies of the monoamine system that are apparent, for example, in Alzheimer’s disease. After a mini-review to introduce the topic of multi-target drug design, the other articles review the Research topic from their own perspective, two from computational approaches, three from medicinal chemistry, two from molecular pharmacology, and two from studies in whole brain. This multi-faceted approach describes new compounds, new methodology, and advances in the basic science of understanding the brain. This Ebook is based upon work from COST Action (CM1103 “Structure-based drug design for diagnosis and treatment of neurological diseases: dissecting and modulating complex function in the monoaminergic systems of the brain"), supported by COST (European Cooperation in Science and Technology). COST (European Cooperation in Science and Technology) is a pan-European intergovernmental framework. Its mission is to enable break-through scientific and technological developments leading to new concepts and products and thereby contribute to strengthening Europe’s research and innovation capacities. It allows researchers, engineers and scholars to jointly develop their own ideas and take new initiatives across all fields of science and technology, while promoting multi- and interdisciplinary approaches. COST aims at fostering a better integration of less research intensive countries to the knowledge hubs of the European Research Area. The COST Association, an International not-for-profit Association under Belgian Law, integrates all management, governing and administrative functions necessary for the operation of the framework. The COST Association has currently 36 Member Countries. www.cost.eu
Alzheimer's Disease Drug Development
Author: Jeffrey Cummings
Publisher: Cambridge University Press
Published: 2022-03-31
Total Pages: 575
ISBN-13: 1108985157
DOWNLOAD EBOOKAlzheimer's Disease (AD) is a growing global public health challenge. The development of new therapies is urgently needed, and a complex ecosystem of organizations has grown to facilitate AD drug discovery and development. Masterfully collating information on the drug development ecosystem, this book emphasizes the contributions of each aspect in the pipeline with a uniform approach to chapters, enabling readers to access relevant information quickly. Topics covered include the use of non-clinical laboratory studies, biomarker development, artificial intelligence, design and management of clinical trials, and funding and financing models. Also discussed is the critical role of advocacy fundraising for drug development. With the approval of aducanumab, the function of the ecosystem has become apparent. This is a definitive overview of how the ecosystem works in transferring an AD drug from its discovery in the laboratory through clinical trial testing to regulatory review and eventual marketing.
Drug Design and Discovery in Alzheimer’s Disease
Author: Atta-ur Rahman
Publisher: Elsevier
Published: 2015-06-27
Total Pages: 785
ISBN-13: 0128039604
DOWNLOAD EBOOKDrug 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
Alzheimer's Disease: Biology, Biophysics And Computational Models
Author: Don Kulasiri
Publisher: World Scientific
Published: 2022-01-06
Total Pages: 416
ISBN-13: 1800610130
DOWNLOAD EBOOKAlzheimer'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.
Molecular Modeling in Drug Design
Author: Rebecca Wade
Publisher: MDPI
Published: 2019-03-26
Total Pages: 220
ISBN-13: 3038976148
DOWNLOAD EBOOKSince the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges. The topics covered include virtual screening and pharmacophore modelling, chemoinformatic applications of artificial intelligence and machine learning, molecular dynamics simulation and enhanced sampling to investigate contributions of molecular flexibility to drug–receptor interactions, the modeling of drug–receptor solvation, hydrogen bonding and polarization, and drug design against protein–protein interfaces and membrane protein receptors.
Drug Discovery Approaches for the Treatment of Neurodegenerative Disorders
Author: Adeboye Adejare
Publisher: Academic Press
Published: 2016-09-20
Total Pages: 310
ISBN-13: 0128028114
DOWNLOAD EBOOKDrug 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
