Drug Repurposing And Computational Drug Discovery

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Drug Repurposing and Computational Drug Discovery

Mithun Rudrapal
Drug Repurposing and Computational Drug Discovery Book PDF

Author : Mithun Rudrapal
Publisher : CRC Press
Page : 294 pages
File Size : 55,6 Mb
Release : 2023-10-27
Category : Medical
ISBN : 9781000800012

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Drug Repurposing and Computational Drug Discovery by Mithun Rudrapal Pdf

Drug repurposing is defined as identifying new pharmacological indications from old, existing, failed, investigational, already marketed, or FDA-approved drugs and prodrugs, and applying these new uses in the treatment of diseases other than the drug’s original intended therapeutic use. The application of computational techniques in discovery research not only helps in the development of drugs from leads or existing drug molecules but can also be useful for the repurposing of existing drug candidates. This new volume presents exciting recent advances in drug repurposing and computational approaches for the discovery and development of drugs against certain difficult-to-treat and life-threatening diseases. With contributions from a global team of experts (academicians, scientists, and researchers), it explores the sophisticated tools and techniques of drug repurposing and computational drug discovery. It delivers valuable information on computational techniques, tools, and databases being utilized for drug repurposing and for identifying the uses of existing drug candidates on different emerging or deadly diseases. Drug repurposing and computational approaches addressed in the book target the discovery and development of drugs for microbial infections (bacterial, fungal, viral, COVID-19), parasitic diseases and neglected tropical diseases (NTDs), malignant diseases (cancer), inflammatory diseases, cardiovascular disorders, diabetes, and aging and neurological (CNS) disorders. In addition, the challenges and regulatory issues encountered in drug repurposing and computational drug discovery programs are looked at, offering perspectives for future directions.

Computational Methods for Drug Repurposing

Quentin Vanhaelen
Computational Methods for Drug Repurposing Book PDF

Author : Quentin Vanhaelen
Publisher : Humana
Page : 0 pages
File Size : 50,5 Mb
Release : 2018-12-14
Category : Medical
ISBN : 1493989545

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Computational Methods for Drug Repurposing by Quentin Vanhaelen Pdf

This detailed book explores techniques commonly used for research into drug repurposing, a well-known strategy to find alternative indications for drugs which have already undergone toxicology and pharma-kinetic studies but have failed later stages during the development, via computational methods. Thereby, it addresses the intense challenges of identifying the appropriate type of algorithm and relevant technical information for computational repurposing. Written for the highly successful Methods in Molecular Biology series, the authors of each chapter use their experience in the field to describe the implementation and successful use of a specific repurposing method thus providing lab-ready instruction. Authoritative and practical, Computational Methods for Drug Repurposing serves as an ideal guide to researchers interested in this vital area of drug development.

Drug Repurposing

Farid A. Badria
Drug Repurposing Book PDF

Author : Farid A. Badria
Publisher : BoD – Books on Demand
Page : 236 pages
File Size : 47,8 Mb
Release : 2020-12-02
Category : Medical
ISBN : 9781839685200

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Drug Repurposing by Farid A. Badria Pdf

Drug repurposing or drug repositioning is a new approach to presenting new indications for common commercial and clinically approved existing drugs. For example, chloroquine, an old antimalarial drug, showed promising results for treating COVID-19, interfering with MDR in several types of cancer, and chemosensitizing human leukemic cells.This book focuses on the hypothesis, risk/benefits, and economic impacts of drug repurposing on drug discovery in dermatology, infectious diseases, neurological disorders, cancer, and orphan diseases. It brings together up-to-date research to provide readers with an informative, illustrative, and easy-to-read book useful for students, clinicians, and the pharmaceutical industry.

Drug Repositioning

Michael J. Barratt,Donald E. Frail
Drug Repositioning Book PDF

Author : Michael J. Barratt,Donald E. Frail
Publisher : John Wiley & Sons
Page : 499 pages
File Size : 52,9 Mb
Release : 2012-05-29
Category : Medical
ISBN : 9780470878279

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Drug Repositioning by Michael J. Barratt,Donald E. Frail Pdf

The how's and why's of successful drug repositioning Drug repositioning, also known as drug reprofiling or repurposing, has become an increasingly important part of the drug development process. This book examines the business, technical, scientific, and operational challenges and opportunities that drug repositioning offers. Readers will learn how to perform the latest experimental and computational methods that support drug repositioning, and detailed case studies throughout the book demonstrate how these methods fit within the context of a comprehensive drug repositioning strategy. Drug Repositioning is divided into three parts: Part 1, Drug Repositioning: Business Case, Strategies, and Operational Considerations, examines the medical and commercial drivers underpinning the quest to reposition existing drugs, guiding readers through the key strategic, technical, operational, and regulatory decisions needed for successful drug repositioning programs. Part 2, Application of Technology Platforms to Uncover New Indications and Repurpose Existing Drugs, sets forth computational-based strategies, tools, and databases that have been designed for repositioning studies, screening approaches, including combinations of existing drugs, and a look at the development of chemically modified analogs of approved agents. Part 3, Academic and Non-Profit Initiatives & the Role of Alliances in the Drug Repositioning Industry, explores current investigations for repositioning drugs to treat rare and neglected diseases, which are frequently overlooked by for-profit pharmaceutical companies due to their lack of commercial return. The book's appendix provides valuable resources for drug repositioning researchers, including information on drug repositioning and reformulation companies, databases, government resources and organizations, regulatory agencies, and drug repositioning initiatives from academia and non-profits. With this book as their guide, students and pharmaceutical researchers can learn how to use drug repositioning techniques to extend the lifespan and applications of existing drugs as well as maximize the return on investment in drug research and development.

Drug Repurposing

Mithun Rudrapal
Drug Repurposing Book PDF

Author : Mithun Rudrapal
Publisher : BoD – Books on Demand
Page : 225 pages
File Size : 47,7 Mb
Release : 2023-06-07
Category : Medical
ISBN : 9781837687763

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Drug Repurposing by Mithun Rudrapal Pdf

Drug repurposing (or drug repositioning) is defined as the process of identifying new pharmacological indications of old, existing, investigational, or FDA-approved drugs for use in the treatment of diseases other than the drugs’ original intended therapeutic use. Drug Repurposing - Advances, Scopes and Opportunities in Drug Discovery delivers up-to-date information on the identification of newer uses, molecular mechanisms, and novel targets of existing drug candidates through the application of various experimental, biophysical, and computational approaches and techniques. Chapters discuss recent advances in drug repurposing strategies that are currently being used in the discovery and development of drugs against difficult-to-treat, rare, and life-threatening diseases, including microbial infections, COVID-19, parasitic diseases, cardiovascular diseases, neurological disorders, and cancer. The book also discusses the modern experimental assays (HTS) and computational techniques including informatics and databases, molecular docking and dynamics, artificial intelligence and machine learning, virtual screening and pharmacophore modeling, proteomics and metabolomics, and network pharmacology and systems biology approaches. Some of the key features of the book are: • Presents the strategies available for the development of drugs by drug repurposing approaches through various experimental and computational techniques for the treatment of difficult-to-treat, rare, and deadly diseases • Summarizes the latest advances in the application of drug repurposing strategies, techniques, and approaches in the discovery and development of drugs • Depicts drug development approaches from existing drug candidates and/or lead molecules through modern experimental assays, biophysical tools, and computational techniques Written by a global team of experts, this book is useful for drug discovery scientists, drug developers, medicinal chemists, phytochemists, pharmacologists, clinicians, biochemists, biomedical scientists, healthcare professionals, researchers, teaching faculty, and students.

In Silico Drug Design

Kunal Roy
In Silico Drug Design Book PDF

Author : Kunal Roy
Publisher : Academic Press
Page : 886 pages
File Size : 40,5 Mb
Release : 2019-02-12
Category : Business & Economics
ISBN : 9780128163771

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In Silico Drug Design by Kunal Roy Pdf

In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R&D professionals in the pharmaceutical industry valuable insights into drug design. Discusses the theoretical background and methodologies of useful techniques of cheminformatics and bioinformatics that can be applied for drug repurposing Offers case studies relating to the in silico modeling of FDA-approved drugs for the discovery of antifungal, anticancer, antiplatelet agents, and for drug therapies against diseases Covers tools and databases that can be utilized to facilitate in silico methods for drug repurposing

New Approach for Drug Repurposing Part A

Anonim
New Approach for Drug Repurposing Part A Book PDF

Author : Anonim
Publisher : Elsevier
Page : 408 pages
File Size : 50,6 Mb
Release : 2024-06-01
Category : Science
ISBN : 9780443223396

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New Approach for Drug Repurposing Part A by Anonim Pdf

New approach for drug repurposing represents drug discovery and development which is a tedious process that requires 10-15 years of time, investments up to $1-2 billion, and have high risk of failure to enter into market for clinical applications. As the drugs has to pass through number of developmental phase, the likelihood for a drug to be approved from phase I clinical trial to United States of Food and Drug Administration (USFDA) approval is less than 10%. More than 90% of drugs failed in due to toxicity, efficacy and clinical trials. Drug repurposing is one of the roadway to accelerating drug discovery and development for treating disease and thus to providing better quality of life. This volume covers an overview of drug repurposing, novel methods, mechanism of action, lab on chip for drug repurposing, computational biology, system biology, artificial intelligence and machine learning for drug repurposing, target identification, target mining, high throughput drug screening, clinical trial of repurposed drug, repurposed biologics, and regulatory consideration and intellectual property right of repurposed drug. This volume highlights a number of aspects of the drug repurposing that can help the basic understanding of students, researchers, clinicians, entrepreneurs, and stakeholders to perform their research with great interest. To offer drug repurposing, novel methods, mechanism of action, lab on chip for drug repurposing, To offer computational biology, system biology, artificial intelligence and machine learning for drug repurposing, To offer high throughput drug screening, clinical trial of repurposed drug, repurposed biologics, and regulatory consideration

Computational Approaches

Anna Maria Almerico,Marco Tutone
Computational Approaches Book PDF

Author : Anna Maria Almerico,Marco Tutone
Publisher : Mdpi AG
Page : 414 pages
File Size : 54,7 Mb
Release : 2022-01-03
Category : Science
ISBN : 3036527796

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Computational Approaches by Anna Maria Almerico,Marco Tutone Pdf

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.

Computational Drug Design

D. C. Young
Computational Drug Design Book PDF

Author : D. C. Young
Publisher : John Wiley & Sons
Page : 344 pages
File Size : 48,9 Mb
Release : 2009-01-28
Category : Science
ISBN : 047045184X

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Computational Drug Design by D. C. Young Pdf

Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

Drug Repurposing

David Cavalla
Drug Repurposing Book PDF

Author : David Cavalla
Publisher : Royal Society of Chemistry
Page : 351 pages
File Size : 53,7 Mb
Release : 2022-01-31
Category : Medical
ISBN : 9781839163418

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Drug Repurposing by David Cavalla Pdf

Drug repurposing is the development of existing drugs for new uses: given that 9 in 10 drugs that enter drug development are never marketed and therefore represent wasted effort, it is an attractive as well as inherently more efficient process. Three repurposed drugs can be brought to market for the same cost as one new chemical entity; and they can also be identified more quickly, an important benefit for patients whose diseases are progressing faster than therapeutic innovation. But repurposing also requires a fresh look at configuring pharmaceutical R&D, considering clinical, regulatory and patent issues much earlier than would otherwise be the case; a holistic gedanken experiment almost needs to be undertaken at the very start of any repurposing development. In addition to new ways of thinking, the discovery of repurposing opportunities can take advantage of artificial intelligence techniques to match the perfect new use for an existing drug. And while repurposing of medicines has been in the mind of every doctor since Hypocrates, modern clinical practice will simply have to adapt to new repurposing techniques in an age where the number of known diseases is increasing much faster than the healthcare dollars available.

Computational Methods in Drug Discovery and Repurposing for Cancer Therapy

Ganji Purnachandra Nagaraju,Venkatesan Amouda,Ampasala Dinakara Rao
Computational Methods in Drug Discovery and Repurposing for Cancer Therapy Book PDF

Author : Ganji Purnachandra Nagaraju,Venkatesan Amouda,Ampasala Dinakara Rao
Publisher : Elsevier
Page : 460 pages
File Size : 46,7 Mb
Release : 2023-03-22
Category : Computers
ISBN : 9780443152818

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Computational Methods in Drug Discovery and Repurposing for Cancer Therapy by Ganji Purnachandra Nagaraju,Venkatesan Amouda,Ampasala Dinakara Rao Pdf

Computational Methods in Drug Discovery and Repurposing for Cancer Therapy provides knowledge about ongoing research as well as computational approaches for drug discovery and repurposing for cancer therapy. The book also provides detailed descriptions about target molecules, pathways, and their inhibitors for easy understanding and applicability. The book discusses tools and techniques such as integrated bioinformatics approaches, systems biology tools, molecular docking, computational chemistry, artificial intelligence, machine learning, structure-based virtual screening, biomarkers, and transcriptome; those are discussed in the context of different cancer types, such as colon, pancreatic, glioblastoma, endometrial, and retinoblastoma, among others. This book is a valuable resource for researchers, students, and members of the biomedical and medical fields who want to learn more about the use of computational modeling to better tailor the treatment for cancer patients. Discusses in silico remodeling of effective phytochemical compounds for discovering improved anticancer agents for substantial/significant cancer therapy Covers potential tools of bioinformatics that are applied toward discovering new targets by drug repurposing and strategies to cure different types of cancers Demonstrates the significance of computational and artificial intelligence approaches in anticancer drug discovery Explores how these various advances can be integrated into a precision and personalized medicine approach that can eventually enhance patient care

Drug Repurposing and Repositioning

Institute of Medicine,Board on Health Sciences Policy,Roundtable on Translating Genomic-Based Research for Health
Drug Repurposing and Repositioning Book PDF

Author : Institute of Medicine,Board on Health Sciences Policy,Roundtable on Translating Genomic-Based Research for Health
Publisher : National Academies Press
Page : 118 pages
File Size : 50,9 Mb
Release : 2014-08-08
Category : Medical
ISBN : 9780309302074

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Drug Repurposing and Repositioning by Institute of Medicine,Board on Health Sciences Policy,Roundtable on Translating Genomic-Based Research for Health Pdf

Drug development can be time-consuming and expensive. Recent estimates suggest that, on average, it takes 10 years and at least $1 billion to bring a drug to market. Given the time and expense of developing drugs de novo, pharmaceutical companies have become increasingly interested in finding new uses for existing drugs - a process referred to as drug repurposing or repositioning. Historically, drug repurposing has been largely an unintentional, serendipitous process that took place when a drug was found to have an offtarget effect or a previously unrecognized on-target effect that could be used for identifying a new indication. Perhaps the most recognizable example of such a successful repositioning effort is sildenafil. Originally developed as an anti-hypertensive, sildenafil, marketed as Viagra and under other trade names, has been repurposed for the treatment of erectile dysfunction and pulmonary arterial hypertension. Viagra generated more than $2 billion worldwide in 2012 and has recently been studied for the treatment of heart failure. Given the widespread interest in drug repurposing, the Roundtable on Translating Genomic-Based Research for Health of the Institute of Medicine hosted a workshop on June 24, 2013, in Washington, DC, to assess the current landscape of drug repurposing activities in industry, academia, and government. Stakeholders, including government officials, pharmaceutical company representatives, academic researchers, regulators, funders, and patients, were invited to present their perspectives and to participate in workshop discussions. Drug Repurposing and Repositioning is the summary of that workshop. This report examines enabling tools and technology for drug repurposing; evaluates the business models and economic incentives for pursuing a repurposing approach; and discusses how genomic and genetic research could be positioned to better enable a drug repurposing paradigm.

Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches

Mithun Rudrapal,Chukwuebuka Egbuna
Computer Aided Drug Design CADD From Ligand Based Methods to Structure Based Approaches Book PDF

Author : Mithun Rudrapal,Chukwuebuka Egbuna
Publisher : Elsevier
Page : 324 pages
File Size : 44,8 Mb
Release : 2022-05-26
Category : Science
ISBN : 9780323914338

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Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches by Mithun Rudrapal,Chukwuebuka Egbuna Pdf

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed. Highlights in silico approaches to drug design and discovery using computational tools and techniques Details ligand-based and structure-based drug design in a comprehensive and systematic approach Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing

Drug Repurposing

Shailendra K. Saxena
Drug Repurposing Book PDF

Author : Shailendra K. Saxena
Publisher : BoD – Books on Demand
Page : 385 pages
File Size : 49,7 Mb
Release : 2022-06-01
Category : Medical
ISBN : 9781839699573

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Drug Repurposing by Shailendra K. Saxena Pdf

This book focuses on various aspects and applications of drug repurposing, the understanding of which is important for treating diseases. Due to the high costs and time associated with the new drug discovery process, the inclination toward drug repurposing is increasing for common as well as rare diseases. A major focus of this book is understanding the role of drug repurposing to develop drugs for infectious diseases, including antivirals, antibacterial and anticancer drugs, as well as immunotherapeutics.

Drug Repositioning: Current Advances and Future Perspectives

Yuhei Nishimura,Hideaki Hara
Drug Repositioning Current Advances and Future Perspectives Book PDF

Author : Yuhei Nishimura,Hideaki Hara
Publisher : Frontiers Media SA
Page : 153 pages
File Size : 50,6 Mb
Release : 2019-01-11
Category : Electronic
ISBN : 9782889456963

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Drug Repositioning: Current Advances and Future Perspectives by Yuhei Nishimura,Hideaki Hara Pdf

Drug repositioning is the process of identifying new indications for existing drugs. At present, the conventional de novo drug discovery process requires an average of about 14 years and US$2.5 billion to approve and launch a drug. Drug repositioning can reduce the time and cost of this process because it takes advantage of drugs already in clinical use for other indications or drugs that have cleared phase I safety trials but have failed to show efficacy in the intended diseases. Historically, drug repositioning has been realized through serendipitous clinical observations or improved understanding of disease mechanisms. However, recent technological advances have enabled a more systematic approach to drug repositioning. This eBook collects 16 articles from 112 authors, providing readers with current advances and future perspectives of drug repositioning.