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 fifth volume of this series features these six chapters: - Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases - Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases - Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System - Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target - Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry - Frontier Molecular Orbital Approach to the Cycloaddition Reactions

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

Frontiers in Computational Chemistry (Volume 7) offers a comprehensive overview of the latest advances in molecular modeling techniques for drug discovery and development. This book focuses on key computational approaches such as rational drug design, adsorption studies, quantum mechanical calculations, and molecular interactions in drug development. It provides insights into lead generation, optimization, and the creation of novel chemical entities targeting various biological mechanisms, including inflammation. The chapters explore modern computational tools and their applications, particularly in low—and middle-income countries (LMICs). The book is essential for researchers, academics, and professionals in computational chemistry, molecular modeling, and pharmaceutical sciences.Students and researchers.

“Frontiers in Natural Product Chemistry” is an Ebook series devoted to publishing the latest and most important advances in natural product chemistry. The Ebook series covers all aspects of research in the chemistry and biochemistry of naturally occurring compounds including coverage of work on natural substances of land and sea and of plants, microbes and animals. Discussion of structure elucidation, synthesis and experimental biosynthesis of natural products as well as developments of new methods are included. Chosen eminent scientists write contributions and each volume are devoted to major advances in natural product chemistry. Topics include the isolation, structure, biosynthesis, biological activity, and chemistry of the major groups of natural products such as alkaloids, terpenoids, steroids, aliphatic, aromatic and O-heterocyclic compounds, and other metabolites of plant, marine and microbial origins, developments in enzymology, nucleic acids, genetics, chemical ecology, primary and secondary metabolism, isolation and analytical techniques, and other areas which will be of general interest to all workers in the area. “Frontiers in Natural Product Chemistry” is essential for all scientists involved in natural product chemistry who wish to keep abreast of rapid and important developments in the field.

Frontiers in Natural Product Chemistry is an Ebook series devoted to publishing monographs that highlight important advances in natural product chemistry. The Ebook series covers all aspects of research in the chemistry and biochemistry of naturally occurring compounds including coverage of work on natural substances of land and sea and of 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 included. The second volume of the series brings seven reviews covering polyphenols of various types, Sambucus nigra as a health promoter, corrinoids in food samples, flavonoids in infected plants and much more.

Frontiers in Natural Product Chemistry is a book series devoted to publishing monographs that highlight important advances in natural product chemistry. The series covers all aspects of research in the chemistry and biochemistry of naturally occurring compounds including coverage of work on natural substances of land and sea and of 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 included. The third volume of the series brings seven reviews covering natural products from marine plant sources, natural oligosaccharides, topical sesquiterpenes for pain treatment, biological activity of piperidinols and much more.

Frontiers in Natural Product Chemistry is a book series devoted to publishing monographs that highlight important advances in natural product chemistry. The series covers 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. The fourth volume of the series brings seven reviews covering these topics: -natural antiamoebic medicines, analgesics and antimalarials -essential oils and cognitive performance -cannabis and drug development -lectins in biosensors -brassinosteroids

Frontiers in Natural Product Chemistry is a book series devoted to publishing monographs that highlight important advances in natural product chemistry. The series covers 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. <p></p> The fifth volume of the series brings six reviews covering these topics: <p></p> -Inhibition of monoamine oxidase (MAO) via green tea extracts <p></p> -Sesquiterpene lactone cynaropicrin as novel inhibitor of Bcr-Abl fusion oncogene expression <p></p> -Effects of dietary polyphenols on chronic diseases <p></p> -Overview of past and present developments towards biotechnological and molecular approaches to improve taxol production <p></p> -Cytotoxicity through molecular targets involved in apoptosis <p></p> -Health related enzyme inhibiting natural products from medicinal plants

<p></p> Frontiers in Natural Product Chemistry is a book series devoted to publishing monographs that highlight important advances in natural product chemistry. The series covers 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. <p></p> The sixth volume of the series brings five reviews covering these topics: <p></p> - Plant protein hydrolyzates from underutilized agricultural and agroindustrial sources: production, characterization and bioactive properties <p></p> - New developments in the quinolone class of antibacterial drugs <p></p> - Structure of fine starch prepared via a compressed hot water process <p></p> - Major metabolites of certain marketed plant alkaloids <p></p> - Natural products in cancer chemoprevention and chemotherapy

Frontiers in Natural Product Chemistry is a book series devoted to publishing monographs that highlight important advances in natural product chemistry. The series covers 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. <p> Volume seven of the series brings seven reviews covering these topics: <p> - Plant-Derived Anticancer Compounds Used in Cancer Therapies <p> - Pradimicin and Benanomicin Antibiotics <p> - The Chemical Compositions of Bixa orellana and their Pharmacological Activities <p> - Overview of Phytochemistry and Pharmacology of Nilakanthi (Ajuga bracteosa Wall. ex Benth.) <p> - Tetracyclic benzocarbazoles and derivatives <p> - Chalcones as Antiinflammatory, Antidiabetic, and Antidepressant Agents <p> - Bioactive Steroids from Marine Organisms