Identification of compounds from Aframomum melengueta (alligator pepper) as potential inhibitors of the Sex Hormone Binding Globulin (SHBG) in male infertility

Abstract

Human sex hormone binding globulin (SHBG) is a glycoprotein produced and secreted by the liver and is capable of binding androgens and estrogens in males. Both androgens and estrogens are important hormones that help in the development of sexual and reproductive tissues. The present work investigates the active chemical components of Aframomum melegueta (Alligator pepper) as well as study their involvement as potential drug lead to inhibiting Sex hormone binding globulin (SHBG) receptor protein that is involved in the various cases of male infertility. Phytochemical identification of the constituents was achieved by Fourier transform infrared spectroscopy (FTIR) and gas chromatography-mass spectrophotometry GC-MS experiments, while the ligand-target interaction to discover the drug lead candidates was achieved by molecular docking. Adsorption, distribution, metabolism, excretion, and toxicity (ADMET) screening was performed to ascertain the suitability of the compounds as drug lead candidates. The GC-MS result revealed a total of 30 compounds, the molecular docking results showed that 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one which was found to be present in , gave a binding energy of -7.0 Kcal mol^- which is an indication that it might form a good drug lead candidate for the inhibition of the Sex hormone binding globulin. The ADMET study showed that all the compounds above 1 from the GC-MS study proved leading drug candidates with great efficacy, no toxicity, no cardiotoxicity and no carcinogenicity was observed.