Plant steroidal alkaloid binds aromatase catalytic cleft: Sterioselective affinity modulating enzyme function an In Silico study

Abstract

Attentive on the impact of ubiquitously present plant molecules on mammalian cell is currently of interest. Specific endocrine deficiency with low testosterone and elevated estrogen causes impaired spermatogenesis. However, inhibition of aromatase enzyme catalytic activity in conversion of testosterone to estrogen is a significant adapting step in logical practice for male infertility therapy. Dietary plant molecules have significant tissue proteins modulatory potential in mammalian. Hence, the present study intends to investigate steroidal alkaloid against aromatase enzyme inhibition potential as drug targets. Molecular docking of tomatidine, tomatidenol and aromatase enzyme protein template was carried out using Auto Dock version 4.0. In Silico molecular docking study yielded binding metrics for tomatidine (-10.15 Kcal/mole) and tomatidenol (-10.01 Kcal/mole) with aromatase enzyme exhibits high docking score, as compared to testosterone (-9.85 Kcal/mole). Dietary plant steroidal alkaloid may potentially inhibit aromatase catalytic activity resulted to improve testosterone level in testicular tissue. In Vitro and In Vivo aromatase enzyme inhibition studies with plant steroidal alkaloid may provide a clear path for the identification and development of novel drug candidates against aromatase enzyme inhibition for male infertility that also provides evidence for the concept of reverse pharmacognosy.