This new book takes an in-depth look at the emerging and prospective field of computational biology and bioinformatics, which possesses the ability to analyze large accumulated biological data collected from sequence analysis of proteins and genes and cell population with an aim to make new predictions pertaining to drug discovery and new biology. The book explains the basic methodology associated with a bioinformatics and computational approach in drug designing. It then goes on to cover the implementation of computational programming, bioinformatics, pharmacophore modeling, biotechnological techniques, and pharmaceutical chemistry in designing drugs. The major advantage of intervention of computer language or programming is to cut down the number of steps and costs in the field of drug designing, reducing the repeating steps and saving time in screening the potent component for drug or vaccine designing. The book describes algorithms used for drug designing and the use of machine learning and AI in drug delivery and disease diagnosis, which are valuable in clinical decision-making. The implementation of robotics in different diseases like stroke, cancer, COVID-19, etc. is also addressed. Topics include machine learning, AI, databases in drug design, molecular docking, bioinformatics tools, target-based drug design, and immunoinformatics, chemoinformatics, and nanoinformatics in drug design. Drug repurposing in drug design in general as well as for specific diseases, including cancer, Alzheimer’s disease, tuberculosis, COVID-19, etc., is also addressed in depth.

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 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.

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

In the evolving environment of bioinformatics, genomics, and computational biology, academic scholars are facing a challenging challenge – keeping informed about the latest research trends and findings. With unprecedented advancements in sequencing technologies, computational algorithms, and machine learning, these fields have become indispensable tools for drug discovery, disease research, genome sequencing, and more. As scholars strive to decode the language of DNA, predict protein structures, and navigate the complexities of biological data analysis, the need for a comprehensive and up-to-date resource becomes paramount. The Research Anthology on Bioinformatics, Genomics, and Computational Biology is a collection of a carefully curated selection of chapters that serves as the solution to the pressing challenge of keeping pace with the dynamic advancements in these critical disciplines. This anthology is designed to address the informational gap by providing scholars with a consolidated and authoritative source that sheds light on critical issues, innovative theories, and transformative developments in the field. It acts as a single reference point, offering insights into conceptual, methodological, technical, and managerial issues while also providing a glimpse into emerging trends and future opportunities.

Computational Approaches for Novel Therapeutic and Diagnostic Designing to Mitigate SARS-CoV2 Infection: Revolutionary Strategies to Combat Pandemics compiles information about various computational bioinformatic approaches that can help combat viral infection. The book includes working knowledge of various molecular docking and molecular dynamic simulation approaches that have been exploited for drug repurposing and drug designing purpose. In addition, it sheds light on reverse vaccinomics and immunoinformatic approaches for vaccine designing against SARS-CoV2 infection. This book is an essential resource for researchers, bioinformaticians, computational biologists, computational chemists and pharmaceutical companies who are working on the development of effective and specific therapeutic interventions and point-of-care diagnostic devices using various computational approaches. - Covers computational based approaches for designing and repurposing drugs - Discusses immunoinformatic and reverse vaccinomic approaches for effective vaccine design - Categorizes information about artificial intelligence-based drug screening and diagnostic tools

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

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.

The novel coronavirus disease 2019 (COVID-19) pandemic has posed a major threat to human life and health. This book is beneficial for interdisciplinary students, researchers, and professionals to understand COVID-19 and how computational intelligence can be used for the purpose of surveillance, control, prevention, prediction, diagnosis, and potential treatment of the disease. The book contains different aspects of COVID-19 that includes fundamental knowledge, epidemic forecast models, surveillance and tracking systems, IoT- and IoMT-based integrated systems for COVID-19, social network analysis systems for COVID-19, radiological images (CT, X-ray) based diagnosis system, and computational intelligence and in silico drug design and drug repurposing methods against COVID-19 patients. The contributing authors of this volume are experts in their fields and they are from various reputed universities and institutions across the world. This volume is a valuable and comprehensive resource for computer and data scientists, epidemiologists, radiologists, doctors, clinicians, pharmaceutical professionals, along with graduate and research students of interdisciplinary and multidisciplinary sciences.