Network pharmacology and molecular docking analysis of phytoestrogens in Vigna unguiculata for menopause treatment via interactions with ERα, ERβ, EGFR, COL1A1, and NOS3

Closed

Arika Indah Setyarini, Sri Winarsih, Wisnu Barlianto, Umi Kalsum, Dian Nugrahenny, I Wayan Arsana Wiyasa

2025 Journal of Medicinal and Pharmaceutical Chemistry Research Vol. 7 Issue 10 Article Cited by 2 Quartile

Abstract

Estrogen plays a crucial role in regulating and maintaining energy homeostasis throughout a woman's life, including growth, development, reproduction, and aging. During menopause, estrogen deficiency disrupts metabolic signaling and significantly reduces bioenergy, contributing to various health issues. Phytoestrogens offer a promising alternative to hormone replacement therapy (HRT), which carries long-term risks when used as a standard treatment. To assess Vigna unguiculata phytoestrogen compounds as an alternative estrogen replacement therapy for menopause. To treat menopause safely and effectively, the approach involves tissue pharmacology and molecular docking analysis of key target proteins such as ER-α, ER-β, EGFR, and COL1A1. The focus is on molecular interaction mechanisms. Four active phytoestrogen compounds in V. unguiculata were analyzed using network pharmacology and molecular docking techniques. This included bioactivity analysis (quantitative structure-activity relationship, QSAR), absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling, protein target prediction (Cross-Target), gene ontology (GO) enrichment, graph topological network construction, mode of action analysis, and molecular docking with target proteins. V. unguiculata phytoestrogen chemicals as daidzein, genistein, quercetin, and kaempferol may alleviate menopausal symptoms without estrogen hormone replacement. Through network pharmacology and molecular docking studies, drugs were found to interact with major target proteins such ER α and β, EGFR, and COL1A1. Phytoestrogens from V. unguiculata, especially daidzein and genistein, have potential as alternative therapies for menopause, and may be further developed as estrogen replacement treatments. © 2025 by SPC (Sami Publishing Company).

Affiliations

Doctoral Program in Medical Science, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Subdivision of Education and Research, Rumah Sakit Dr. Iskak, Tulungagung, Indonesia; Department of Pharmacy, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Pediatric, Faculty of Medicine, Universitas Brawijaya-dr, Saiful Anwar General Hospital, Malang, Indonesia; Department of Pharmacology, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Obstetrics and Gynecology, Faculty of Medicine, Universitas Brawijaya-dr, Saiful Anwar General Hospital, Malang, Indonesia