Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking

With the development of bioinformatics and the research on bioactive phytochemicals, network pharmacology and molecular docking have been widely applied to study the molecular mechanism of phytochemicals in treating different diseases. In the past two decades, research on bioactive phytochemicals ha...

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collection Directory of Open Access Books
description With the development of bioinformatics and the research on bioactive phytochemicals, network pharmacology and molecular docking have been widely applied to study the molecular mechanism of phytochemicals in treating different diseases. In the past two decades, research on bioactive phytochemicals has shifted from the isolation and validation of their biological activity in in vitro and in vivo experiments to the molecular mechanisms of bioactive phytochemicals against various diseases. Previous research studies have found that many plant extracts can potentially treat different diseases. However, the specific bioactive phytochemicals in these extracts and molecular mechanisms are still unknown. Network pharmacology is an advantageous research strategy for exploring the molecular mechanisms of bioactive phytochemicals in treating various diseases, as it can scientifically analyze the molecular mechanisms involved in treatments using certain compounds, including protein targets, signaling pathways, and biological processes. This approach can be employed to predict the curing targets of disease through big data based on the structural similarity of phytochemicals, and the prediction can be verified via molecular docking. This reprint gathers the latest research findings (including 1 editorial, 6 research papers, and 2 reviews) on the molecular mechanism of bioactive phytochemicals against various diseases through network pharmacology combined with molecular docking.
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publisher MDPI - Multidisciplinary Digital Publishing Institute
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spelling doab-20.500.12854ir-1657642025-08-12T10:14:46Z Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking Xu, Baojun molecular mechanism phytochemicals network pharmacology molecular docking diseases signaling pathway biological processes thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PS Biology, life sciences With the development of bioinformatics and the research on bioactive phytochemicals, network pharmacology and molecular docking have been widely applied to study the molecular mechanism of phytochemicals in treating different diseases. In the past two decades, research on bioactive phytochemicals has shifted from the isolation and validation of their biological activity in in vitro and in vivo experiments to the molecular mechanisms of bioactive phytochemicals against various diseases. Previous research studies have found that many plant extracts can potentially treat different diseases. However, the specific bioactive phytochemicals in these extracts and molecular mechanisms are still unknown. Network pharmacology is an advantageous research strategy for exploring the molecular mechanisms of bioactive phytochemicals in treating various diseases, as it can scientifically analyze the molecular mechanisms involved in treatments using certain compounds, including protein targets, signaling pathways, and biological processes. This approach can be employed to predict the curing targets of disease through big data based on the structural similarity of phytochemicals, and the prediction can be verified via molecular docking. This reprint gathers the latest research findings (including 1 editorial, 6 research papers, and 2 reviews) on the molecular mechanism of bioactive phytochemicals against various diseases through network pharmacology combined with molecular docking. 2025-08-12T10:14:44Z 2025-08-12T10:14:44Z 2025 book ONIX_20250812T110751_9783725845071_519 9783725845071 9783725845088 https://directory.doabooks.org/handle/20.500.12854/165764 eng image/jpeg Attribution 4.0 International https://mdpi.com/books https://mdpi.com/books/pdfview/book/11154 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-7258-4508-8 10.3390/books978-3-7258-4508-8 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783725845071 9783725845088 168 open access
spellingShingle molecular mechanism
phytochemicals
network pharmacology
molecular docking
diseases
signaling pathway
biological processes
thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general
thema EDItEUR::P Mathematics and Science::PS Biology, life sciences
Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking
title Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking
title_full Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking
title_fullStr Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking
title_full_unstemmed Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking
title_short Molecular Mechanism Discovery of the Bioactive Phytochemicals against Different Diseases Based on Network Pharmacology and Molecular Docking
title_sort molecular mechanism discovery of the bioactive phytochemicals against different diseases based on network pharmacology and molecular docking
topic molecular mechanism
phytochemicals
network pharmacology
molecular docking
diseases
signaling pathway
biological processes
thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general
thema EDItEUR::P Mathematics and Science::PS Biology, life sciences
topic_facet molecular mechanism
phytochemicals
network pharmacology
molecular docking
diseases
signaling pathway
biological processes
thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general
thema EDItEUR::P Mathematics and Science::PS Biology, life sciences
url ONIX_20250812T110751_9783725845071_519