In vitro and In silico Evaluation of the Oestrogenic Activities of Some Edible Vegetables in Nigeria

Breast cancer is the most common malignancy in women worldwide with an estimated 2.3 million new cases and 1,380,000 deaths. The steroid hormone; 17-β estradiol plays a significant role in the growth and development of the breast epithelium, and is implicated in the aetiology and progression to breast cancer. The phytoestrogens are plant-derived compounds that mimic endogenous oestrogens, however, reports on their beneficial and adverse health effects remain inconclusive. Therefore, this study aimed to evaluate the oestrogenic activities of some edible vegetables using in vitro and in silico assays. The leaves of Gnetum africanum (GA), Lasianthera Africana (LA), and Vernonia amygdalina (VA) were extracted by cold maceration with ethanol. The Yeast Estrogen Screen (YES) which employed Recombinant Saccharomyces cerevisiae W303 expressing oestrogen receptors (ERs; α and β) was used to assess the oestrogenic potency of the extracts. The in silico investigations involved molecular docking of selected phytochemicals on ERs and prediction of ADMET properties using SwissADME webserver. The YES revealed the following Estradiol Equivalents (EEQs); ERα: LA: 154.05μg/g; VA: 130.20μg/g; GA: 109.40μg/g, and ERβ: LA: 9.26μg/g; VA: 6.22μg/g, GA: 5.73μg/g. Molecular docking studies showed negative binding affinities ranging from -3.3 to -9.0 Kcal/mol, while the SwissADME predictions revealed four compounds with good ADMET properties, interacting with ERα binding pocket similarly to 17-β estradiol. Knowledge of the oestrogenic potencies of edible vegetables is vital as this would help promote safer consumption habits and inform preventive strategies against ER-positive breast cancer.