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A total of 60 result was found. Results that relate to Molecular docking

Investigation of the mechanisms of action of Shuanghuanglian in treating res-piratory syncytial virus infection based on network pharmacology, molecular docking and molecular dynamics simulations

Published on Frontiers in Pharmaceutical Sciences 2026,30(5):737-747.
2984 times 705 times

REN Shuanshan ZHANG Yuqin MOU Jing YIN Shuqing WANG Lingling

Shuanghuanglian Respiratory syncytial virus GEO data Network pharmacology Molecular docking Molecular dynamics simulation Protein-protein interaction
Details
Study on the effect and mechanism of Polygoni Orientalis Fructus on nonalcoholic fatty liver disease based on network pharmacology and experimental validation

Published on Frontiers in Pharmaceutical Sciences 2026,30(6):901-909.
3139 times 871 times

GAO Shuchang HAN Danrui MA Donglai WANG Xiaona DUAN Xuhong

Polygoni Orientalis Fructus NAFLD Network pharmacology Molecular docking Signaling pathway Mechanism of action Zebrafish model Lipid metabolism
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The mechanism of Huanglian Jiedu Decoction in the treatment of acute mastitis with blazing heat-toxin pattern based on network pharmacology and molecular docking

Published on Journal of Mathematical Medicine 2026,39(6):426-435.
2693 times 778 times

WANG Lingling ZHANG Shengliang FENG Xuan ZHAO Changwei LI Yantao

Huanglian Jiedu Decoction Acute mastitis Blazing heat-toxin pattern Network pharmacology Molecular docking Mechanism
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Study on the mechanism of action of the Shengjiang powder plus Huanglian decoction in diabetes based on network pharmacology and animal experiments

Published on Frontiers in Pharmaceutical Sciences 2026,30(6):910-919.
3245 times 835 times

LAN Xinjian DING Tao LIU Bo WANG Xin CHEN Biao QIN Jia FU Shuang

Shengjiang powder plus Huanglian decoction Network pharmacology Molecular docking Diabetes Tumor necrosis factor Epidermal growth factor receptor
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Anti‑fatigue effect of Hibiscus manihot L. and its potential mechanism based on network pharmacology

Published on Frontiers in Pharmaceutical Sciences 2026,30(6):920-933.
3000 times 775 times

DU Junxia ZHU Xiumin LIU Hualiang

Hibiscus manihot L. Anti-fatigue Weight loaded swimming test Network pharmacology Molecular docking Inflammatory response AKT1 HSP90AA1
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The potential mechanism of Polygonatum sibiricum polysaccharide in the treatment of alcohol-related liver disease based on network pharmacology and molecular docking technology

Published on Journal of Mathematical Medicine 2026,39(7):471-483.
2060 times 602 times

FAN Mingdong WAN Hongbing YANG Shaotong CHI Xuehan NING Xin

Polygonatum sibiricum polysaccharide Alcohol-related liver disease Structural units Network pharmacology Molecular docking
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Exploration of the toxicity mechanism of acetyl tributyl citrate exposure on Alzheimer's disease based on network toxicology and molecular docking

Published on Journal of Mathematical Medicine 2026,39(7):484-496.
1884 times 557 times

ZHOU Tanyue CHEN Xuwu LI Daoyuan HOU Guanzhi WEI Xiaoqian ZHOU Qiyi DAI Dongmei REN Cailing

Acetyl tributyl citrate Alzheimer's disease Network toxicology Molecular docking Neurotoxicity
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Mechanism study of glycyrrhizin in the treatment of oral squamous cell carcinoma based on network pharmacology and in vitro cell experiments

Published on Frontiers in Pharmaceutical Sciences 2026,30(7):1081-1091.
2231 times 701 times

TIAN Zhongjia LEI Yintao LI Junfu WANG Qian

Glycyrrhizin Oral squamous cell carcinoma Network pharmacology Molecular docking Notch signaling pathway
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Integrating network pharmacology and bioinformatics to identify molecular targets of cordycepin in the treatment of head and neck squamous cell carcinoma

Published on Journal of Mathematical Medicine 2026,39(8):577-588.
1218 times 350 times

WU Gongyu LI Xudong LYU Mengyao LI Zheng SUN Puzheng FU Hui

Cordycepin Head and neck squamous cell carcinoma Network pharmacology Bioinformatics Molecular docking
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Exploring the mechanism of Wendan decoction in treating adolescent depression based on network pharmacology and molecular docking technology

Published on Frontiers in Pharmaceutical Sciences 2026,30(8):1261-1269.
1449 times 419 times

YU Yuanhong ZHANG Di

Adolescent Depression Wendan decoction Network pharmacology Molecular docking
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Exploring targets and molecular mechanisms ofZanthoxyli Pericarpium components against hepatocellular carcinoma based on network pharmacology and molecular docking

Published on Frontiers in Pharmaceutical Sciences 2026,30(8):1270-1286.
2650 times 1186 times

WANG Jiawen ZHAO Xiangxuan XU Shu

Zanthoxyli Pericarpium Network pharmacology Network targets Hepatocellular carcinoma Mechanism of action Molecular docking
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Exploring the impact of benzo[a]pyrene exposure on allergic asthma based on network toxicology and molecular docking

Published on Journal of Mathematical Medicine 2026,39(9):654-663.
594 times 233 times

LI Daoyuan HUANG Yuli WANG Zhen REN Cailing

Benzo[a]pyrene Allergic asthma Network toxicology Molecular docking Respiratory toxicity
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Exploring the molecular mechanisms ofScutellaria radixin treating lung cancer based on network pharmacology and molecular docking

Published on Frontiers in Pharmaceutical Sciences 2026,30(9):1445-1456.
3537 times 473 times

QU Jianwen ZHAO Xiangxuan XU Shu

Scutellaria radix Network pharmacology Network targets Lung cancer Mechanism of action Molecular docking
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Study on the action mechanism of Herba Verbenae-Campsis Flos herb pair in treating thyroid nodules based on network pharmacology and molecular docking

Published on Frontiers in Pharmaceutical Sciences 2026,30(9):1457-1468.
756 times 221 times

LI Chang GAO Shuchang HAN Danrui DUAN Xuhong

Thyroid nodules Herba Verbenae-Campsis Flos herb pair Network pharmacology Molecular docking Signaling pathway Mechanism of action
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A cross-tissue transcriptome-wide association study identifies a novel susceptibility gene for age-related cataract and candidate compounds

Published on Chinese Journal of Pharmacoepidemiology 2026,35(9):987-996.
644 times 203 times

LI Fang ZHOU Xinyang HUANG Guoxin

Age-related cataract Transcriptome-wide association study Mendelian randomization Colocalization analysis Molecular docking
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