Mithun Rudrapal – författare

Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their subsequent predictions on biological targets for the discovery of new drugs against specific diseases are presented, along with computational tools for the prediction of the toxic effects of phytochemicals on living systems. The book also provides in-depth insight on the applications of these computational tools as well as the databases that describe the interactions of phytochemicals with diseases along with predictions for druggable bioactive compounds.

Useful for drug developers, medicinal chemists, toxicologists, phytochemists, plant biochemists and analytical chemists, this book clearly presents the various computational techniques, tools and databases for phytochemical research.

Provides the various databases, methods and procedures for computational drug discovery in plants Includes insights into the predictors for properties of phytochemicals against different diseases Discusses the applications of computational tools and their databases

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

Biochemical and Molecular Pharmacology in Drug Discovery comprises fundamental biochemical and molecular aspects of drug discovery and basic understanding of modern drug discovery approaches, along with certain key topics related to molecular pharmacology of drugs and therapeutics. The book explains the phenomena of drug-target interactions, considering different biochemical systems and cellular strategies. With the advent of technologies, current advances, and research trends move toward molecular and/or target-based drug design and discovery. Through this book, readers will gain skills and knowledge with a thorough understanding of the subject of biochemical and molecular pharmacology in a comprehensive and systematic manner.Molecular pharmacology has gained significant momentum among researchers, scientists, and academicians because of its increasing interest in drug discovery research across the globe. Molecular pharmacology involves a fundamental understanding of drug actions at the molecular level with the help of several tools and techniques of biochemical and molecular biology.

Highlights the fundamentals of biochemical and molecular aspects, with reference to drug discovery researchDepicts modern drug discovery approaches such as reverse pharmacology, drug repositioning, and CADD in the context of current research updatesSummarizes recent developments in the molecular pharmacology of novel drugs/ therapeutic molecules

Molecular and Cellular Biology Approaches and Applications in Modern Drug Discovery is an essential guide that bridges the latest advances in molecular and cellular biology to revolutionize drug discovery. The book explores a wide range of tools and techniques, and their application to drug discovery, including genetic engineering, gene therapy, regenerative medicine, developmental biology, molecular diagnostics, biomarkers, RNA therapeutics, molecular immunology, and vaccine development. It also considers multi-omics approaches, biophysical methods, epigenetics and epigenomics, biomedical engineering, nanotechnology, artificial intelligence, bioinformatics, structural and computational approaches, and more. This comprehensive volume covers critical domains such as transcriptomics, proteomics, genomics, genetics, and cell signalling pathways, providing an in-depth understanding of their pivotal roles in drug development. It is an invaluable reference for researchers and advanced students working in these areas across molecular biology, biochemistry, pharmacology, biotechnology and related fields.Examines the latest trends shaping the future of drug discovery, including proteomics, transcriptomics, nanotechnology, and AI-driven innovations to revolutionize therapeutic developmentDelves into the transformative realms of genetic engineering, stem cell biology, vaccine development, regenerative medicine, and biomedical engineering, paving the way for future innovationsDelivers practical guidance to address the complexities and hurdles faced in modern drug developmentIntegrates a diverse range of disciplines to provide a holistic approach to drug discovery

Diets rich in plant polyphenols or dietary polyphenols are the subject of increasing scientific interest because of their diverse range of health benefits and medicinal uses. This book, Dietary Polyphenols in Human Diseases: Advances and Challenges in Drug Discovery, fills the gap that exists in the current knowledge by presenting the latest information in the area of polyphenol-based drug discovery research. The book focuses on the current understanding of the beneficial effects on human health of diets rich in polyphenols and/or polyphenolic compounds derived from dietary sources (plant-based foods) and their possible preventive role in the management of chronic human diseases. In addition, biochemical mechanisms involved in the antioxidative effect of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations are also discussed herein.Key Features Presents health benefits and medicinal importance of dietary polyphenols having antioxidative effects and their possible preventive role against oxidative stress (OS)-induced chronic human diseases. Summarizes the latest understanding of the biochemical mechanism(s) involved in the antioxidative action of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations. Highlights novel approaches of drug discovery from dietary polyphenols through computational screening of bioactive phytochemical components.With contributions by a global team of experts (academics, scientists, and researchers), this book is intended to be a useful resource for a wider audience, particularly those working in the area of drug discovery and development research, such as discovery scientists, pharmaceutical scientists (R&D), formulation scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, clinicians, researchers, students, teachers, and many others.

Diets rich in plant polyphenols or dietary polyphenols are the subject of increasing scientific interest because of their diverse range of health benefits and medicinal uses. This book, Dietary Polyphenols in Human Diseases: Advances and Challenges in Drug Discovery, fills the gap that exists in the current knowledge by presenting the latest information in the area of polyphenol-based drug discovery research. The book focuses on the current understanding of the beneficial effects on human health of diets rich in polyphenols and/or polyphenolic compounds derived from dietary sources (plant-based foods) and their possible preventive role in the management of chronic human diseases. In addition, biochemical mechanisms involved in the antioxidative effect of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations are also discussed herein.Key Features Presents health benefits and medicinal importance of dietary polyphenols having antioxidative effects and their possible preventive role against oxidative stress (OS)-induced chronic human diseases. Summarizes the latest understanding of the biochemical mechanism(s) involved in the antioxidative action of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations. Highlights novel approaches of drug discovery from dietary polyphenols through computational screening of bioactive phytochemical components.With contributions by a global team of experts (academics, scientists, and researchers), this book is intended to be a useful resource for a wider audience, particularly those working in the area of drug discovery and development research, such as discovery scientists, pharmaceutical scientists (R&D), formulation scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, clinicians, researchers, students, teachers, and many others.

PHYTOCHEMICAL DRUG DISCOVERY FOR CENTRAL NERVOUS SYSTEM DISORDERS Understand herbal and plant-based treatments for chronic disorders with this groundbreaking work Due in part to the aging of the global population, disorders of the central nervous system have become an increasingly grave public health concern in recent years. Demand for pharmaceutical treatments has been correspondingly high, but there are many barriers to the successful development of effective synthetic drugs. Phytomedicines, or plant-based and herbal medicines, have proven to be an effective alternative, boasting lower toxicity and cost and higher efficacy, and one that demands greater research and broader-based practitioner knowledge. Phytochemical Drug Discovery for Central Nervous System Disorders meets this demand with a timely, clearly-structured guide. It thorough coverage presents a wide range of phytochemicals with potential as candidates for drug discovery, describing their sources, properties, and therapeutic efficacy. The result is a vital contribution to the ongoing fight against central nervous system (CNS) disorders. Phytochemical Drug Discovery for Central Nervous System Disorders readers will also find: Detailed treatment of CNS-active plant products, neuroprotective chemicals, plant-based nutraceutical products, and moreUp-to-date information on FDA-approved drugs and existing plant-based products used to treat CNS disordersAn authorial team featuring experts from across the globePhytochemical Drug Discovery for Central Nervous System Disorders is essential for drug discovery scientists, drug developers, medicinal chemists, biochemists, and any researchers and professionals in the health care or pharmaceutical industries.

Phytoantioxidants and Nanotherapeutics Discover the medicinal importance of antioxidant herbal medicines, phytochemicals, and nanodelivery systems for a wide range of diseases Phytomedicine has been—and continues to be—central to many cultures and societies due to its low toxicity, low cost, accessibility, and efficacy in treating difficult diseases. In fact, many plant-derived bioactive natural products serve as potential sources of drug leads or therapeutic agents in the treatment of a wide range of human diseases. When combined with nanotechnology, phytomedicine has the potential to affect and impact a tissue-specific site, which can reduce drug dosage and side effects while improving activity. Phytoantioxidants and Nanotherapeutics offers a comprehensive look at the significant role that phytomedicine-derived antioxidants play on the field of medicine, particularly when combined with the nanotechnology-derived drug delivery systems. The book thoroughly covers the herbs, plant extracts, and other dietary elements that may be used as sources of natural antioxidants and similarly highlights the use of phytomedicine- derived bioactive compounds including plant polyphenols and flavonoids to reducing the impact of oxidative stress induced human diseases. The text also demonstrates the biochemical and therapeutic targets of nanodrugs and discusses nanostructure toxicity, while emphasizing the challenges and regulatory issues involved with nanophytotherapeutics. Phytoantioxidants and Nanotherapeutics readers will also find: A helpful bridge between the cutting-edge field of nanotechnology delivery and phytotherapeuticsThe potential role of bioactive phytochemicals, particularly polyphenolic compounds and flavonoids, in oxidative stress-induced diseasesDescription of the latest developments on nanotherapeutics of phytoantioxidants for the treatment of certain chronic human diseases, such as cancer, inflammations, diabetes, viral, bacterial and parasitic infections, nervous system disorders, cardiovascular disorders, and neurological diseases.Phytoantioxidants and Nanotherapeutics is a useful reference for drug manufacturers and drug developers, formulation scientists, biomedical scientists, medicinal chemists, phytochemists, healthcare providers, and academics and researchers.

Polyphenols Understand polyphenols and their benefits with this comprehensive overview Polyphenols are a group of beneficial compounds—including phenolic acids, flavonoids, anthocyanins, and others—that can be found in a vast range of plants and plant-based foods. Their health benefits and the variety of their applications in functional foods, dietary supplements, and similar areas have made polyphenols a $1 billion market, a figure that is expected to more than double in the next decade. This has placed increased emphasis on areas of cutting-edge research such as the use of bio-based nanodelivery systems to improve the oral bioavailability of polyphenols. Polyphenols constitutes a comprehensive introduction to these compounds, their health benefits, and their potential nutraceutical applications. It incorporates both the biochemical fundamentals of polyphenols and their precise potential to prevent numerous common diseases. The result is an essential reference for a vital, growing area of research and industry. Polyphenols readers will also find: Detailed coverage of polyphenols’ occurrence, bioactivity, and technological applicationsIn-depth discussion of nano-based delivery systems to increase polyphenols’ therapeutic efficacy and oral bioavailability and to reduce required dosagesGuidance for developing treatments for cancers, cardiovascular diseases, inflammatory conditions, and morePolyphenols is ideal for food scientists and manufacturers, medicinal chemists, pharmaceutical scientists, and any biochemical or biomedical researcher or professional working with polyphenols or plant-based foods.

Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessmentsIn silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discoveryRational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeuticsProtac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokineticsHelping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.

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.

This book updates knowledge on recent advances in computational, biophysical and bioinformatics tools/techniques and their practical applications in modern drug design and discovery paradigm. It also encompasses fundamental principles, advanced methodologies and applications of various CADD approaches including several cutting-edge areas; presenting recent developments covering ongoing trends in the field of computer-aided drug discovery. Having contributions by a global team of experts, the book is expected to be an ideal resource for drug discovery scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, biologists, R&D personnel, researchers, students, teachers and those working in the field of drug discovery. It will fill the knowledge gaps that exist in the current CADD approaches and methodologies/ protocols being widely used in both academic and research practices. Further, a special focus on current status of various computational drug design approaches (SBDD, LBDD, de novo drug design, pharmacophore-based search), bioinformatics tools and databases, computational screening and modeling of phytochemicals/natural products, artificial intelligence and machine learning, and network pharmacology and systems biology would certainly guide researchers, students or readers to conduct their research in the emerging area(s) of interest. It is also expected to be highly beneficial to various stakeholders working in the pharmaceutical and biotechnology industries (R&D), the academic as well as research sectors.