Search for New Inhibitors of Human Aromatase Enzyme (Cyp450) from Bioactive Compounds of Citrus species

Abstract

Oestrogen synthesis pathway is one of the bottom line steps for breast cancer advancement; involving, aromatase enzyme (Cyp450), which transform androgens to oestrogens. Thus endocrine-based therapies comprising of human aromatase blockage is the most necessary way in order to decrease the oestrogen levels and thereafter prohibiting the chances of breast cancer commencement. In recent years, limelight on drug discovery from green sources has been growing for their less toxicity and cost effectiveness. Our present course of study aims at searching of new antagonist/s from a common dietary source “Citrus species”. Molecular docking along with in-silico evaluation their pharmacokinetics (ADME) properties and toxicity were employed to fulfill the aim. Result shows that, all the five Citrus compounds have reasonable affinity towards cytochrome p450. However, Hesperidin shows highest affinity towards its target receptor protein i.e. -9.7 kcal/ mol, followed by Chalcone that shows the lowest affinity towards its target protein i.e. -7.4 kcal/ mol. Hence, bioactive components of Citrus species can be green alternatives for breast cancer therapy.