Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The sixth volume of this series features these six different perspectives on the application of computational chemistry in rational drug design: - Computer-aided molecular design in computational chemistry - The role of ensemble conformational sampling using molecular docking and dynamics in drug discovery - Molecular dynamics applied to discover antiviral agents - Pharmacophore modeling approach in drug discovery against the tropical infectious disease malaria - Advances in computational network pharmacology for Traditional Chinese Medicine (TCM) research - Progress in electronic-structure based computational methods: from small molecules to large molecular systems of biological significance

This volume is a comprehensive compilation of contributions on the state of art knowledge about bioactive compounds including their sources, isolation methods, biological effects, health benefits and potential applications. These bioactive compounds could serve as alternatives in the prevention or treatment of multifactorial diseases for vulnerable population groups. Chapters in the book incorporate the knowledge based on traditional medicine with recent findings on bioactive molecules and their pharmaceutical implications in neurodegenerative diseases, cancer, COVID 19, diabetes, immunomodulation and farm animal diseases. The book also highlights the latest breakthroughs in the field of screening, characterization, and novel applications of natural bioactive compounds from diverse group of organisms ranging from bacteria, algae, fungi, higher plants, and marine sources. Authors from renowned institutions of India, Japan and China have shared their expertise in the contributed chapters with the goal of enhancing readers' knowledge about the significance of use of bioactives in therapeutics and nutraceuticals. It is an informative reference for researchers, professors, graduate students, science enthusiasts, and all those who wish to gain insights into various aspects of bioactive compounds and development of new pharmacological active constituents and nutritional science.

This volume is a comprehensive compilation of contributions on the state of art knowledge about bioactive compounds including their sources, isolation methods, biological effects, health benefits and potential applications. These bioactive compounds could serve as alternatives in the prevention or treatment of multifactorial diseases for vulnerable population groups. Chapters in the book incorporate the knowledge based on traditional medicine with recent findings on bioactive molecules and their pharmaceutical implications in neurodegenerative diseases, cancer, COVID 19, diabetes, immunomodulation and farm animal diseases. The book also highlights the latest breakthroughs in the field of screening, characterization, and novel applications of natural bioactive compounds from diverse group of organisms ranging from bacteria, algae, fungi, higher plants, and marine sources. Authors from renowned institutions of India, Japan and China have shared their expertise in the contributed chapters with the goal of enhancing readers’ knowledge about the significance of use of bioactives in therapeutics and nutraceuticals. It is an informative reference for researchers, professors, graduate students, science enthusiasts, and all those who wish to gain insights into various aspects of bioactive compounds and development of new pharmacological active constituents and nutritional science.

This reference describes the chemistry of organocalcium compounds that contain a Ca-C σ-bond. It collects the information about this niche group of organometallic compounds into 4 easy-to-read chapters. It is intended for scholars in the field of organic chemistry, and researchers in industrial chemistry and chemical engineering departments. Key features: - Presents a comparison to homologous compounds of other alkaline earth metals. - Explains the main problems encountered in the synthesis of organocalcium compounds with reference to the reactivity of calcium, the low solubility in common solvents and the high reactivity of the formed intermediates and products - Highlights many concepts about the Ca-C bond such as the steric hindrance, degrading agent properties, organocalcium spectroscopy, and more

This reference provides collective information about the physical and photophysical changes of supramolecules after encapsulation. It covers luminescent systems involving a range of host molecules such as calixarenes, cyclodextrin, resorcinanene-crowns, pillararenes, cucurbituril, and metallacycles. Chapters also discuss the effect of the macrocyclic environment on the properties of functionalized molecules, including the variations in folding and unfolding patterns. Each chapter is supplemented with detailed references, making this an ideal resource for scholars interested in supramolecular photophysics.

Advances in Organic Synthesis is a book series devoted to the latest advances in synthetic approaches towards challenging structures. The series presents comprehensive reviews written by eminent authorities on different synthetic approaches to selected target molecules and new methods developed to achieve specific synthetic transformations or optimal product yields. Advances in Organic Synthesis is essential for all organic chemists in academia and the industry who wish to keep abreast of rapid and important developments in the field. Contents of this volume include these 6 reviews: - Multicomponent synthesis of heterocycles by microwave irradiation - Stereoselective procedures for the synthesis of olefines - Advanced microwave assisted organic synthesis method in organic chemistry - Five and six-membered n-heterocycle rings from diaminomaleonitrile - Peptidomimetics: current and future perspectives on hiv protease inhibitors - A review on synthesis, chemistry, and medicinal properties of benzothiazines and their related scaffolds

Frontiers in Natural Product Chemistry is a book series devoted to important advances in natural product chemistry. The series features volumes that cover all aspects of research in the chemistry and biochemistry of naturally occurring compounds, including research on natural substances derived from plants, microbes and animals. Reviews of structure elucidation, biological activity, organic and experimental synthesis of natural products as well as developments of new methods are also included in the series. Volume 10 of the series brings together 5 reviews on a variety of bioactive compounds. · An overview of cistus species growing in Sardinia: a source of bioactive compounds · Roles of natural abscisic acids in fruits during fruit development and under environmental stress · Progress in the research of naturally occurring biflavonoids: a look through · Plant metabolites for protecting human cells against radiation-associated damage: an integrative review · Chemical perspective and drawbacks in flavonoid estimation assays

The Chemistry inside Spices and Herbs: Research and Development brings comprehensive information about the chemistry of spices and herbs with a focus on recent research in this field. The book is an extensive 2-part collection of 20 chapters contributed by experts in phytochemistry with the aim to give the reader deep knowledge about phytochemical constituents in herbal plants and their benefits. The contents include reviews on the biochemistry and biotechnology of spices and herbs, herbal medicines, biologically active compounds and their role in therapeutics among other topics. Chapters which highlight natural drugs and their role in different diseases and special plants of clinical significance are also included. Part II continues from the previous part with chapters on the treatment of skin diseases and oral problems. This part focuses on clinically important herbs such as turmeric, fenugreek, ashwagandha (Indian winter cherry), basil, Terminalia chebula (black myrobalan). In terms of phytochemicals, this part presents chapters that cover resveratrol, piperine and circumin.

The Chemistry inside Spices & Herbs: Research and Development brings comprehensive information about the chemistry of spices and herbs with a focus on recent research in this field. The book is an extensive 2-part collection of 20 chapters contributed by experts in phytochemistry with the aim to give the reader deep knowledge about phytochemical constituents in herbal plants and their benefits. The contents include reviews on the biochemistry and biotechnology of spices and herbs, herbal medicines, biologically active compounds and their role in therapeutics among other topics. Chapters which highlight natural drugs and their role in different diseases and special plants of clinical significance are also included. Part I focuses on the general aspects of spice biotechnology, structure activity relationships and the natural products that can be used to treat different diseases - such as neurological diseases, inflammation, pain and infections. This part also covers information about phenolic compounds, flavonoids and turmeric supplements. This book is an ideal resource for scholars (in life sciences, phytomedicine and natural product chemistry) and general readers who want to understand the importance of herbs, spices and traditional medicine in pharmaceutical and clinical research.

Chemistry of Bipyrazoles: Synthesis and Applications covers the synthetic pathways for all types of bipyrazoles. 5 chapters cover bipyrazole systems, N,N- and N,C-bipyrazoles, namely 1,1`-bipyrazole, 1,3`-bipyrazole, 1,4`-bipyrazole, 3,3`-bipyrazoles, 3,4`-bipyrazoles and 4,4`-bipyrazoles The contents explain several types of reactions: 1) condensation reactions of hydrazines with tetracarbonyls, dihydroxydicarbonyl compounds or pyrazole-based difunctional compounds; 2) 1,3-dipolar cycloaddition of pyrazole-based hydrazonoyl halides with activated methylene compounds; 3) metal catalyzed cross-coupling reactions. The book concludes with a chapter that details the applications of bipyrazole derivatives in different industries. Information about advanced concepts used in chemical engineering such as metal-organic frameworks (MOFs) and corrosion inhibition are highlighted. The book contents are presented in an easy-to-understand manner suitable for readers in organic chemistry at senior levels of education and industry expertise. Each chapter is supplemented with detailed references.