Network pharmacology and molecular docking to explore the mechanism of antiplatelet drugs in the treatment of acute lung injury
10.13699/j.cnki.1001-6821.2024.06.027
- VernacularTitle:基于网络药理学和分子对接探讨抗血小板药物治疗急性肺损伤的作用机制研究
- Author:
Jing NIU
1
;
Qian XIANG
;
Zhi-Yan LIU
;
Zhe WANG
;
Lin-Yu CAO
Author Information
1. 徐州医科大学药学院,江苏徐州 221004;北京大学第一医院药学部,北京 100034;北京大学第一医院临床药理研究所,北京 100034
- Keywords:
antiplatelet drug;
network pharmacology;
acute lung injury;
molecular docking
- From:
The Chinese Journal of Clinical Pharmacology
2024;40(6):914-917
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the mechanism of antiplatelet drugs in the treatment of acute lung injury based on the strategy of network pharmacology.Methods The targets of antiplatelet drugs were predicted by SwissTargetPrediction platform,and the related targets of acute lung injury were obtained by GeneCards and OMIM databases.The protein interaction network was constructed through the STRING platform.The CytoHubba and MCODE plug-ins in Cytoscape software were used to screen out the core targets and highly connected target clusters for the treatment of acute lung injury.The DAVID database was used to analyze the gene ontology(GO)bioprocess and Kyoto encyclopedia of genes and genomes(KEGG)signaling pathway enrichment of the core targets.Finally,AutoDockTools software was used for molecular docking verification.Results A total of 20 core targets for antiplatelet drugs in the treatment of acute lung injury were screened,among which the top three core targets were proto-oncogene tyrosine-protein kinase(SRC),phosphoinositide-3-kinase regulatory subunit 1(PIK3R1)and signal transducer and activator of transcription 3(STAT3).Antiplatelet drugs may play a role in the treatment of acute lung injury by regulating epidermal growth factor receptor(ErbB)signaling pathway,positive programmed death receptor-1(PD-1)/programmed death receptor ligand-1(PD-L1)signaling pathway and Janus activated kinase/signal transducer and activator of transcription(JAK-STAT)signaling pathway.Molecular docking results further showed that antiplatelet drugs could bind well to core targets.Conclusion This study elucidated the possible mechanism of antiplatelet drugs in the treatment of acute lung injury from a systematic and holistic perspective,and provided new ideas for further study of the pharmacological mechanism of antiplatelet drugs in the treatment of acute lung injury.
