Investigation on the Mechanism of Lemai Granules in the Treatment of Vascular Dementia Based on Network Pharmacology and Molecular Docking

Abstract

Abstract:

Objective： To investigate the mechanism of Lemai Granules in the treatment of vascular dementia（VD） using network pharmacology and molecular docking. Methods： The active ingredients and targets of Lemai Granules were screened from the TCMSP database， and the relevant targets of VD were obtained from GeneCard， OMIM， DrugBank and other databases. The intersection targets were obtained after merging and deduplication. Cytoscape 3.9.0 software was used for visual analysis of the "drug-active ingredient-target" network and protein-protein interaction network to obtain core active ingredients and targets. R 4.2.1 software was used for GO analysis and KEGG pathway enrichment analysis of intersection targets， and AutoDock Vina 1.5.6 software was used for molecular docking. Results： Quercetin， luteolin， and kaempferol may be the core active ingredients for the treatment of VD by Lemai Granules， and core targets included AKT1， PTGS2， and TNF. GO analysis was mainly related to peptide response and cellular responses to chemical stress. KEGG mainly involved lipid and atherosclerosis， PI3K-Akt signaling pathway， and other pathways. The molecular docking results showed that the binding activity between core active ingredients and core targets was strong. Conclusion： Lemai Granules can exert their therapeutic effects on VD through multiple targets and pathways， mainly involving the suppression of inflammatory reaction and the regulation of neuronal apoptosis.

Key words:

"> font-size:10.5pt, ">Lemai Granules, vascular dementia, network pharmacology, molecular docking, mechanism of action

CLC Number:

Wang Jinyu, Zhou Longlong, Wang Xuechang, Li Xiaodong, Geng Shuqiong, Xia Conglong.

Investigation on the Mechanism of Lemai Granules in the Treatment of Vascular Dementia Based on Network Pharmacology and Molecular Docking [J]. Journal of Dali University, 2023, 8(4): 13-21.

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