Integrating solvent partitioning with network pharmacology and molecular docking reveals the multi-target pharmacological mechanism of Thespesia garckeana in female sexual health

Abstract

Female sexual health requires novel therapies due to its complex neurohormonal regulation. This study investigates Thespesia garckeana’s bioactive compounds using solvent partitioning, network pharmacology, and molecular docking. HPLC identified key phytochemicals, including Caffeic Acid, Ferulic Acid, Maleic Acid, Salicylic Acid, Gallic Acid, Tannic Acid, Rutin Hydrate, Saponins, Naringin, Kaempferol, Quercetin, and p-Coumaric Acid. Gallic Acid exhibited broad activity, binding seven targets. Quercetin and Kaempferol showed high affinity for ESR2 (−10.377 kcal/mol and −9.499 kcal/mol), CNR2 (−11.778 kcal/mol and −10.897 kcal/mol), SLC6A3 (−10.737 kcal/mol – Kaempferol), and HTR2C (−9.477 kcal/mol – Quercetin). The findings highlight Thespesia garckeana’s potential in female sexual health, with Quercetin and Kaempferol notably influencing key neurohormonal proteins and signalling pathways.