Exploring the mechanism of Tangcao tablet in the treatment of AIDS using network pharmacology and molecular docking techniques
Objective To elucidate the therapeutic mechanism of Tangcao tablets on AIDS using network pharmacology and molecular docking techniques.Methods Active components of Tangcao tablets were identified through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).Target predictions were performed using the SwissTargetPrediction database,and disease targets were retrieved from the GeneCards and OMIM databases.Protein-protein interaction(PPI)network diagrams were constructed using the STRING platform,and a traditional Chinese medicine-component-target network was developed using CytoScape 3.9.1 software.Gene ontology(GO)analyses and KEGG pathway annotations were conducted using the DAVID database,and molecular docking was verified using AutoDockTools 1.5.7 software.Results The core active components of Tangcao tablets for AIDS treatment were identified as quercetin,luteolin,kaempferol,baicalein,and isorhamnetin,with key targets including AKT1,IL-6,TNF,STAT3,and EGFR.GO analysis highlighted biological processes primarily involving phosphorylation,positive regulation of RNA polymerase Ⅱ promoter transcription,and signal transduction.KEGG analysis focused on pathways such as PI3K-Akt,MAPK,and Ras.Molecular docking demonstrated effective binding activity between key components and core targets.Conclusions Tangcao tablets may exert therapeutic effects on AIDS through components like quercetin,luteolin,kaempferol,baicalein,and isorhamnetin,targeting molecules such as AKT1,IL-6,TNF,STAT3,EGFR,and regulating pathways including PI3K-Akt,MAPK,and Ras.
NETL
NSTL
万方数据
