Network Pharmacology and Molecular Docking-based Activity of Masha (Vigna mungo [L.] Hepper) in Erectile Dysfunction: In silico Study
Vijay Kumar Pathak, Harsha Ranjan, Neha Yadav, Swati DhiryanIntroduction:
Erectile dysfunction (ED) is a condition that involves the inability to attain or maintain a penile erection sufficient for sexual satisfaction. In Ayurveda, it is considered a
Materials and Methods:
Bioactive compounds in Masha were retrieved, ADME study and the target of bioactive were assessed. The targets of ED were retrieved. Network diagrams from common targets were constructed. The protein–protein interaction (PPI) network between proteins was constructed by the STRING database. GO (gene ontology) and KEGG pathway analyzed with the g-profiler database. Targets were docked with their corresponding active compound to get the docking score.
Results:
64 bioactive compounds retrieved for V. mungo, removal of duplicates remains with 54 bioactive compounds, out of 54 only 20 bioactive compounds qualified ADME screening. 21 targets were obtained from these ADME screened bioactive compounds and after removal of duplicates, 20 targets remained. 6 common targets were identified. PPI study of these 6 targets imported in Cytoscape, MCODE plug-in applied, which result in 1 subnetwork with 4 key targets, CytoHubba plug-in identified 5 core targets. Key target subjected to GO and KEGG analysis. The core target docked with the corresponding bioactive compound.
Conclusions:
Three bioactive compounds have shown targets having > 70% target prediction in ED; they were: myristic acid, genistein, and palmitic acid. In the current study, ESR1, EGFR, PPARA, ESR2, and MAOA were identified as the top 5 core targets that play a role in ED. Bioactive compound of