VIRTUAL SCREENING REVEALS PROMISING BIOACTIVE COMPOUNDS FROM Glycyrrhiza uralensis AS ANDROGEN RECEPTOR INHIBITORS IN POLYCYSTIC OVARY SYNDROME
Year: 2025
Type: article
Abstract: Polycystic Ovary Syndrome (PCOS) is a common hormonal disorder that impacts female during their reproductive years, primarily marked by elevated androgen levels, which contributes to its clinical manifestations such as irregular menstrual cycles and infertility. Targeting the androgen receptor has emerged as a promising therapeutic strategy to alleviate PCOS symptoms. In this research, a virtual screening approach was employed to evaluate 83 bioactive compounds derived from Glycyrrhiza uralensis was conducted using molecular docking techniques to explore their potential as androgen receptor inhibitors. The compounds were first screened using Lipinski's Rule of Five, along with assessments of oral bioavailability and drug-likeness properties to ensure their potential as viable drug candidates.to ensure their suitability as drug candidates. The docking results revealed several compounds with strong binding affinities, including Xambioona and Glycyrrhiza flavonol A, which exhibited binding energies of -11.7 and -9.8 kcal/mol, respectively. These compounds showed significant interactions with key androgen receptor residues, such as PRO682, ARG752, and VAL685, indicating their potential inhibitory effect. The study's findings suggest that selected compounds from Glycyrrhiza uralensis may serve as novel androgen receptor inhibitors and provide a foundation for further experimental validation, potentially leading to the development of new treatments for PCOS.
Source: RASAYAN Journal of Chemistry
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4411159443