Integrated computational strategies for Polypharmacological profiling and identification of anti-inflammatory targets in Rungia pectinata L.

ABSTRACT: Rungia pectinata L. is an ethnomedicinal herb belonging to the Acanthaceae family and it presents a promising avenue for medicinal exploration, deeply rooted in traditional practices. Earlier research has demonstrated that the herb can effectively relieve the classic symptoms of inflammation. Nevertheless, comprehensive studies into the mechanisms underlying R. pectinata's beneficial impact on inflammation pathways, remain scarce. Hence, we employed an integrated approach combining network pharmacology, molecular docking and molecular dynamics simulations to explore the mechanisms underlying R. pectinata's anti-inflammatory activity. For this study, seven inflammation-related active ingredients were identified among 38 candidates, revealing 22 intersecting genes associated with inflammatio

SUBMITTER: Zaheen A 

PROVIDER: S-EPMC11615512 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature