A comprehensive application: Molecular docking and network pharmacology for the prediction of bioactive constituents and elucidation of mechanisms of action in …

X Jiao, X Jin, Y Ma, Y Yang, J Li, L Liang, R Liu… - … Biology and Chemistry, 2021 - Elsevier
Molecular docking is a computer technology based on structural design. Network pharmacology
… the relationship between TCM and disease network. In this review, emergent uses and …

Network pharmacology and molecular docking analysis on molecular targets and mechanisms of Huashi Baidu formula in the treatment of COVID-19

Q Tao, J Du, X Li, J Zeng, B Tan, J Xu… - Drug development and …, 2020 - Taylor & Francis
… is a significant pathway of structural molecular biology and the computer aided drug … in
molecular docking. In this study, we aim to utilize network pharmacology and molecular docking

Network pharmacology prediction and molecular docking-based strategy to explore the potential mechanism of Huanglian Jiedu Decoction against sepsis

X Li, S Wei, S Niu, X Ma, H Li, M Jing, Y Zhao - Computers in biology and …, 2022 - Elsevier
… targets were verified using molecular docking technology. This study uses network
pharmacology methods to explore the main components and molecular biological mechanisms of …

Network pharmacology and molecular docking reveal the mechanism of Scopoletin against non-small cell lung cancer

C Yuan, MH Wang, F Wang, PY Chen, XG Ke, B Yu… - Life sciences, 2021 - Elsevier
… Based on the results of network pharmacology and molecular docking, we believe that it
is necessary to elucidate these three proteins related pathways. As the results showed, a …

Network pharmacology prediction and molecular docking-based strategy to discover the potential pharmacological mechanism of Huai Hua San against ulcerative …

J Liu, J Liu, X Tong, W Peng, S Wei, T Sun… - Drug Design …, 2021 - Taylor & Francis
… Based on the findings of network pharmacology, we acquired three crucial bioactive …
molecular docking was carried out to further validate the prediction by network pharmacology

Prediction of triptolide targets in rheumatoid arthritis using network pharmacology and molecular docking

X Song, Y Zhang, E Dai, L Wang, H Du - International …, 2020 - Elsevier
Network pharmacology is a novel approach that uses bioinformatics to predict and identify
multiple drug targets and interactions in disease. Here, we used network pharmacology to …

Network pharmacology and molecular docking analyses on Lianhua Qingwen capsule indicate Akt1 is a potential target to treat and prevent COVID‐19

QD Xia, Y Xun, JL Lu, YC Lu, YY Yang, P Zhou… - Cell …, 2020 - Wiley Online Library
… refers to the process that a small molecular is spatially docked into a … the molecular
mechanism of the action of LQC in COVID-19 using network pharmacology and molecular docking. …

Network pharmacology and molecular docking study of the Chinese miao medicine sidaxue in the treatment of rheumatoid arthritis

N Wu, T Yuan, ZX Yin, X Yuan, J Sun, Z Wu… - Drug Design …, 2023 - Taylor & Francis
network pharmacology and molecular docking … applied network pharmacology and molecular
docking through data mining and analysis, to screen and predict potential target molecules

Mechanism of Anti-Inflammatory and Antibacterial Effects of QingXiaoWuWei Decoction Based on Network Pharmacology, Molecular Docking and In Vitro …

Q Zhang, X Li, J Li, Y Hu, J Liu, F Wang… - … in Pharmacology, 2021 - frontiersin.org
… approach was applied to investigate the pharmacological … identified using network
pharmacology and molecular docking. … Also, the network pharmacology, molecular docking as …

Network pharmacology and molecular docking suggest the mechanism for biological activity of rosmarinic acid

M Guan, L Guo, H Ma, H Wu… - … Based Complementary and …, 2021 - Wiley Online Library
… Therefore, we used the method of network pharmacology to analyze the mechanism of
RosA. In our study, PubChem database was used to search for the chemical formula and the …