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A total of 44 result was found. Results that relate to Molecular docking

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.
2473 times 452 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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Study on the antianxiety effect of xanthohumol by inhibiting FKBP51 in the brain

Published on Frontiers in Pharmaceutical Sciences 2026,30(1):42-51.
1948 times 456 times

SHAO Qi ZHANG Jing MA Shanbo ZHANG Kun CHONG Ye

Xanthohumol FKBP51 Anxiety disorder Brain-derived neurotrophic factor Adeno-associated virus Molecular docking Open field test Elevated plus-maze
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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.
2039 times 404 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.
2019 times 392 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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Exploring the mechanism of astragaloside IV in the treatment of ischemic stroke based on integrated pharmacology

Published on Journal of Mathematical Medicine 2026,39(2):101-113.
2359 times 623 times

LI Bo XU Hao HUANG Xiuxiu HOU Fen ZOU Ziqin LI Qun

Ischemic stroke Astragaloside IV Network pharmacology Molecular docking TNF/NF-κB signaling pathway
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Exploring the mechanism of Wendan Decoction in the treatment of schizophrenia based on network pharmacology and molecular docking

Published on Journal of Mathematical Medicine 2026,39(2):114-123.
2300 times 558 times

XIAO Huizhong PU Yuxin XU Xinyi ZHU Meiling XU Yiyong

Wendan Decoction Schizophrenia Network pharmacology Molecular docking Mechanism
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Exploring the medication rules and mechanism of action of national patent traditional Chinese medicine compound in the treatment of atrial fibrillation based on data mining, network pharmacology and molecular docking technology

Published on Chinese Journal of Pharmacoepidemiology 2026,35(3):295-307.
1923 times 465 times

WEI Mengzhao DING Jian GE Lan LIU Yelu CHENG Xiaoyu

Atrial fibrillation Traditional Chinese medicine compound National patent Medication rules Mechanism of action Data mining Network pharmacology Molecular docking
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Mechanism of the medicine pair of Sanhe Decoction in treatment of chronic prostatitis/chronic pelvic pain syndrome and benign prostatic hyperplasia with "homotherapy for heteropathy" based on network pharmacology and molecular docking

Published on Journal of Mathematical Medicine 2026,39(3):179-190.
1777 times 506 times

LI Shenglong JING Shuaishuai LI Hui ZHANG Qingwei GONG Meisheng LIANG Yonglin ZHOU Jiuyun ZHAO Yongqiang

Chronic prostatitis Chronic pelvic pain syndrome Benign prostatic hy-perplasia Sanhe Decoction Homotherapy for heteropathy Network pharmacology Molecular docking
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The mechanism of Callicarpa Nudiflora Folium in the treatment of acute gastritis based on network pharmacology and molecular docking technology

Published on Journal of Mathematical Medicine 2026,39(3):191-199.
1746 times 467 times

ZHANG Mingxiao LIU Fengqi DING Xinghua GE Pu

Callicarpa Nudiflora Folium Acute gastritis Network pharmacology Molecular docking Mechanism of action
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Integrating network pharmacology and molecular docking to elucidate the therapeutic mechanisms of Foeniculum vulgare against hepatocellular carcinoma

Published on Frontiers in Pharmaceutical Sciences 2026,30(3):361-370.
2321 times 419 times

DENG Xiaying ZHAO Xiangxuan

Foeniculum vulgare Network pharmacology Network targets Hepatocellular carcinoma Mechanism of action Molecular docking Targeted therapy Natural products
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Predicting the differential efficacy of vitiligo between Tripterygium wilfordii and Tripterygium hypoglaucum and screening for candidate key microRNAs based on their main triterpene components

Published on Frontiers in Pharmaceutical Sciences 2026,30(3):383-393.
1717 times 336 times

ZHAO Jiangyi ZENG Qin CAI Beilei LIU Qiancheng LI Yongjun ZHAO Jianquan WANG Jiangrui

Tripterygium wilfordii Tripterygium hypoglaucum Network pharmacology Molecular docking Triterpene components Vitiligo Pharmacological differences microRNA
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Visualization of research hotspots and trends in traditional Chinese medicine treatment for liver cancer from 2006 to 2025

Published on Frontiers in Pharmaceutical Sciences 2026,30(3):442-454.
2585 times 398 times

ZANG Guojie HUO Lina WU Meiyuan WANG Jian LIU Jinwei

Bibliometrics Traditional Chinese medicine Liver cancer Visual analytics CiteSpace VOSviewer Network pharmacology Molecular docking Cinobufagin Matrine Quercetin Flavonoids
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Mechanism of formulas containing the Astragali Radix-Anemarrhenae Rhizoma herb pair in treating chronic heart failure based on Apriori algorithm, network pharmacology, and molecular docking

Published on Frontiers in Pharmaceutical Sciences 2026,30(4):541-554.
1092 times 242 times

ZHANG Mengqian PANG Jianying WANG Chaohui HOU Jiahao ZHANG Yajing LI Jing SONG Yongxing MA Donglai

Chronic heart failure Astragali Radix-Anemarrhenae Rhizoma Herb pair Apriori algorithm Network pharmacology Molecular docking
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Target screening and efficacy evaluation of lotusine against pancreatic cancer: prediction based on network pharmacology and validation by animal experiments

Published on Frontiers in Pharmaceutical Sciences 2026,30(4):566-574.
872 times 227 times

QI Fei CHEN Qi

Lotusine Pancreatic cancer Network pharmacology Therapeutic targets Molecular docking Animal experiment GO functional enrichment analysis KEGG pathway enrichment analysis
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