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A total of 6 result was found. Results that relate to Molecular dynamics simulation

Potential role of Panax ginseng against triple-negative breast cancer based on network pharmacology

Published on Frontiers in Pharmaceutical Sciences 2025,29(9):1449-1459.
4631 times 790 times

CHEN Ziying SHI Yonghui LAI Songgui LYU Li ZHOU Yuehan

Panax ginseng Triple negative breast cancer Network pharmacology Molecular docking Molecular dynamics simulation
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Exploring the anticoagulant mechanism of Sojae Semen Praeparatum based on liquid chromatography/mass spectrometry technology, network pharmacology and molecular dynamics simulation

Published on Journal of Mathematical Medicine 2025,38(12):894-909.
2231 times 457 times

CHEN Jiageng MOU Yanzhu CHEN Mingyue CHEN Ban ZHANG Yingqing

Sojae Semen Praeparatum Anticoagulation Liquid chromatography/mass spectrometry Network pharmacology Molecular docking Molecular dynamics simulation
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Exploring the potential pathway of puerarin in the treatment of oral submucous fibrosis based on bioinformatics methods and cell experiments

Published on Journal of Mathematical Medicine 2026,39(1):45-57.
1591 times 388 times

LU Ruqing GUO Sheng PENG Jiamei LI Yijie LIU Gen

Puerarin Oral submucous fibrosis Bioinformatics Network pharmacology Molecular docking Molecular dynamics simulation Cell experiments
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The mechanism of action of Cassiae Semen for constipation based on network pharmacology analysis

Published on Frontiers in Pharmaceutical Sciences 2026,30(1):23-29.
1656 times 294 times

SUN Qiqi MAO Weiru WANG Yuheng YUAN Meng WU Xinyu YAN Hailong WANG Kun

Cassiae Semen Constipation Network pharmacology Molecular docking Molecular dynamics simulation Prostaglandin-endoperoxide synthase 2 Tumor necrosis factor
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Network pharmacological exploration of the mechanism of Scutellaria baicalensis antigenic primary biliary cholangitis

Published on Frontiers in Pharmaceutical Sciences 2026,30(2):181-189.
1239 times 282 times

WANG Chunxia ZHAO Zan GUO Qinghong

Primary biliary cholangitis Scutellaria baicalensis Network pharmacology Molecular docking Molecular dynamics simulation Signaling pathways GO function analysis KEGG pathway enrichment analysis
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Exploring the mechanism of action of Aconitum Heterophyllum in treating gout based on network pharmacology and molecular modeling

Published on Frontiers in Pharmaceutical Sciences 2026,30(2):190-200.
1270 times 258 times

ZHANG Ruirui CHEN Quansheng ZHANG Bingyin WU Yuwen YAN Caifeng

Aconitum Heterophyllum Gout Network pharmacology Molecular docking Molecular dynamics simulation Active ingredients Signaling pathways Protein-protein interactions
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