Computer-Aided Drug Discovery Methods: A Brief Introduction explores the cutting-edge field at the intersection of computational science and medicinal chemistry. This comprehensive volume navigates from foundational concepts to advanced methodologies, illuminating how computational tools accelerate the discovery of new therapeutics. Beginning with an overview of drug discovery principles, the book explains topics such as pharmacophore modeling, molecular dynamics simulations, and molecular docking. It discusses the application of density functional theory and the role of artificial intelligence in therapeutic development, showcasing successful case studies and innovations in COVID-19 research. Ideal for undergraduate and graduate students, as well as researchers in academia and industry, this book serves as a vital resource in understanding the complex landscape of modern drug discovery. It emphasizes the synergy between computational methods and experimental validation, shaping the future of pharmaceutical sciences toward more effective and targeted therapies.

This comprehensive reference explores medicinal plants, phytomedicines, and traditional herbal remedies as potential sources for the prevention and treatment of COVID-19. It features 9 chapters authored and edited by renowned experts. The book specifically highlights the promising drug discovery opportunities grounded in bioactive compounds from medicinal plants and herbal medicines, offering insights into combatting SARS-CoV-2 infections and respiratory complications. Key Highlights: Drug Discovery Potential: Explores the vast potential of medicinal plants, phytomedicine, and traditional remedies against COVID-19, shedding light on groundbreaking drug discovery avenues. Cutting-Edge Insights: Provides up-to-date insights into the use of medicinal plants, herbal drugs, and traditional medicines in the fight against COVID-19. Natural Immune Boosters: Details the use of indigenous herbs, spices, functional foods, and herbal drugs for boosting immunity and preventing SARS-CoV-2 infections. Drug Repurposing: Highlights innovative drug repurposing strategies using phytomedicine-derived bioactive compounds and phytochemical databases for COVID-19 drug development. Additional features of the book include a reader-friendly introduction to each topic and a list of references for advanced readers. This timely reference is an informative resource for a broad range of readers interested in strategies to control COVID-19, including postgraduate researchers, and pharmaceutical R&D experts. It also serves as a handbook for professionals in clinical and herbal medicine.

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field. Volume 12 of this series brings together reviews covering homology modeling and anti-infective drug discovery. Topics included in this volume are: - Homology Modelling: A Computational Tool in Drug Design and Discovery - Anti-trypanosomatid Drugs/Candidates in Clinical Trials: What's New and What's Missing? - Nitroheterocyclics As Anti-Tuberculosis Agents: An Overview - SARS-CoV-2 Protease Inhibitors of Natural Origin: Current Scenario and Future Prospects as Anti-COVID-19 Agents

This book provides an update on heterocyclic compounds that serve as key components of anti-cancer agents administered in pre-clinical settings. Many of the compounds highlighted in the book are being actively investigated for the bioactive properties against a range of cancer cell lines. There is potential for heterocyclic compounds to design agents that can target specific molecules to treat different types of cancers. Chapters are contributed by experts in pharmaceutical chemistry and are written to give a general overview of the topic to readers involved in all levels of research and decision-making in pharmaceutical chemistry and anti-cancer drug design. Part II of the book set covers these topics: - Anticancer targets for heterocyclic lead compounds - Coumarin hybrids for cancer treatments - Progress in nitrogen and sulphur-based heterocyclic compounds for their anticancer activity - Imidazole as an anticancer heterocyclic ring - Morpholine for profiling anticancer lead compounds - Natural products as anticancer agents

This book provides an update on heterocyclic compounds that serve as key components of anti-cancer agents administered in pre-clinical settings. Many of the compounds highlighted in the book are being actively investigated for the bioactive properties against a range of cancer cell lines. There is potential for heterocyclic compounds to design agents that can target specific molecules to treat different types of cancers. Chapters are contributed by experts in pharmaceutical chemistry and are written to give a general overview of the topic to readers involved in all levels of research and decision-making in pharmaceutical chemistry and anti-cancer drug design. Part 1 of the book set covers these topics: - Heterocyclic anticancer compounds derived from natural sources with their mechanism of action - The role of terpenoids as anticancer compounds: an insight into prevention and treatment - Recent advances in synthesis and anticancer activity of benzothiazole hybrids as anticancer agents - Structure-activity relationship studies of novel hybrid quinoline and quinolone derivatives as anticancer agents - Tetrazoles: structure and activity relationship as anticancer agents - Progress in nitrogen and oxygen-based heterocyclic compounds for their anticancer activity: an update (2017-2020)

Frontiers in Cardiovascular Drug Discovery is a book series devoted to publishing the latest advances in cardiovascular drug design and discovery. Each volume brings reviews on the biochemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, recent important patents, and structure-activity relationships of molecules used in cardiovascular therapy. The book series should prove to be of great interest to all medicinal chemists and pharmaceutical scientists involved in preclinical and clinical research in cardiology. Volume 6 covers the following topics: - Cardiovascular effects of ranolazine and the scope for translational research: a current review of literature - Rho/Rho kinase signaling pathway and disease: - Hibernation or transformation? Challenges in cardiovascular drug development - New approaches in P2Y12 receptor blocker drugs use - Pathophysiological links between diabetes and cardiovascular diseases: at the biochemical and molecular levels

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field. Volume 11 of this series brings together reviews covering immunotherapy of sepsis, new antimalarials, and the medicinal use of onions for respiratory diseases, among other topics. Topics included in this volume are: - Heme-oxygenase and autophagy connected as a cytoprotective mechanism: potential therapeutic target - Development of recombinant therapeutic proteins in animal cells: Challenges and solutions - Artemisinin Analogues as a Novel Class of Antimalarial Agents: Recent Developments, Current Scenario and Future Perspectives - The effects of Allium cepa and their derivatives on respiratory diseases and the possible mechanisms of these effects - Immunotherapy of Sepsis

Frontiers in Anti-Cancer Drug Discovery is a book series devoted to publishing the latest advances in anti-cancer drug design and discovery. In each volume, eminent scientists contribute reviews relevant to all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, recent important patents, and structure-activity relationships. The book series should prove to be of interest to all pharmaceutical scientists involved in research in anti-cancer drug design and discovery. The book series is essential reading to all scientists involved in drug design and discovery who wish to keep abreast of rapid and important developments in the field. This volume of the series focuses on reviews of treatments derived from natural sources (cannabinoid-based medicines and turmeric), immunotherapy, biomarkers for glioblastoma and some new drug targets for anti-cancer treatment. The reviews included in this volume are: - Cannabinoid-Based Anticancer Strategies: - The Beneficial Effects of Turmeric and Its Active Constituent in Cancer Treatment - Immunotherapy Approaches Focusing on Cancer Stem Cells - Immunotherapy for the Treatment of Hepatocellular Carcinoma - Role of Biomarkers in Developing Therapies for Glioblastoma Multiforme - Poly (ADP-ribose) Polymerases as New Drug Targets in Cancer Treatment

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field. The tenth volume of this series brings together reviews covering topics related to the treatment of neoplasms, systems biology, respiratory diseases among others. Topics included in this volume are: - Recombinant Protein Production: from Bench to Biopharming - Plant Virus Nanoparticles and Virus like Particles (VLPs): Applications in Medicine - MAO Inhibitory Activity Of 4, 5-Dihydro-1 HPyrazole Derivatives: A Platform To Design Novel Antidepressants - Flavonoids Antagonize Effects of Alcohol in Cultured Hippocampal Neurons: A Drug Discovery Study - Hybrid Smart Materials for Topical Drug Delivery: Application of Scaffolds

Obesity is a complex health problem, caused by a number of factors such as excessive food intake, lack of physical activity, genetic predisposition, endocrine disorders, medications and psychiatric illnesses. The incidence of obesity among populations in both the developing and the developed world has reached epidemic proportions. In response to this, efforts to control and treat obesity have also been vigorously pursued, ranging from activities focused on raising awareness about lifestyle changes to the discovery and development of safe and effective anti-obesity drugs. Anti-obesity Drug Discovery and Development is a book series focused on this very important area of healthcare research. Each volume presents insightful updates on pharmaceutical research and development for clinical researchers and healthcare professionals involved in obesity treatment programs. The fifth volume of this series is a compilation of 6 reviews of interesting topics on the subject that highlight different aspects of obesity treatment and management, some of which are novel approaches. Topics covered in this volume include: - the effect of sleep on weight and obesity management - AMPK as a postulated target for metabolic syndrome and obesity - Harnessing addiction neuroscience to treat obesity - Current treatment of obesity versus the next generation of anti-obesogenic drugs: an ecologically and sustainable approach to health - Leptin and leptin sensitizers for the treatment of obesity related conditions - MicroRNAs as targets for the management of obesity