Study on the Mechanism of Lily in the Treatment of Cognitive Impairment Based on Network Pharmacology and Molecular Docking
LIU Ye, FU Chuanjun, LIU Na, LI Xianhui, LIU Xihan
Journal of Jishou University(Natural Sciences Edition)
2022, 43 (5):
The mechanism of lily in the treatment of cognitive impairment was studied based on network pharmacology and molecular docking.The main active components and action targets of lily were obtained from TCMSP database.After screening,7 main active components were obtained.There were 465 potential action targets of the main active components of lily.Secondly,disease targets were obtained from GeneCards,OMIM,PharmGKB,DrugBank and CTD databases,and the intersection of lily chemical components and cognitive impairment targets was obtained by using Venny software.44 drug component-disease intersection targets were obtained.Using STRING database,the intersection target protein interaction (PPI) network was constructed.After screening,the core targets and core components were obtained.It was found that MAOB (monoamine oxidase B),CASP3 caspase 3),ESR1 (estrogen receptor),JUN (gene of chromosome 1),CASP8 (aspartic acid proteolytic enzyme 8),CASP9 (aspartic acid proteolytic enzyme 9),PGR (steroid receptor gene),AR (adrenergic receptor),SLC6A3 (dopamine transporter gene),PTGS2 (cyclooxygenase-2) were the key target proteins of lily pharmacodynamic components for the anti cognitive impairment effect.Metascape and DAVID platforms were used for GO function enrichment and KEGG pathway enrichment analysis,and Autodock Vina platform was used for molecular docking.The results showed that 4 active compounds of lily were related to 10 key core targets of cognitive impairment,and there were 30 key signal pathways involved in the regulation.Among them,stigmasterol,3-norcolchicine,β-Sitosterol,and rosin acid had high degree value.The target proteins with high degree value included MAOB,PTGS2,CASP3,CASP9,etc.The main pathways involved were neural activity ligand receptor interaction pathway,calcium signaling pathway,small cell lung cancer pathway and so on.The mechanism of lily in treating cognitive impairment may improve cognitive function by inhibiting the activity of monoamine oxidase B.