Molecular Mechanism Discovery of the Bioactive Phytochemicals Against Different Diseases Based on Network Pharmacology and Molecular Docking, 2nd Edition
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".
Deadline for manuscript submissions: 15 November 2025 | Viewed by 347
Special Issue Editor
Interests: food science; phytochemicals; nutraceuticals; pharmaceuticals; functional foods; molecular nutrition; cell biology
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
With the development of bioinformatics and the research of bioactive phytochemicals, network pharmacology and molecular docking technology have been proposed to study the molecular mechanism of phytochemicals in treating different diseases. In the past two decades, the research purpose of bioactive phytochemicals has shifted from the isolation and validation of their biological activity 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 will be an advantageous research strategy in exploring the molecular mechanisms of bioactive phytochemicals in treating various diseases, as it can scientifically analyze molecular mechanisms involved in treating diseases by certain compounds, including protein targets, signaling pathways, biological processes, etc. As network pharmacology can 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, the goal of this Special Issue is to collect the latest research findings on the molecular mechanism of bioactive phytochemicals against various diseases through network pharmacology combined with molecular docking.
Prof. Dr. Baojun Xu
Guest Editor
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Keywords
- molecular mechanism
- phytochemicals
- network pharmacology
- molecular docking
- diseases
- curing targets
- signaling pathway
- biological processes
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