Retusenol potentially inhibits putative drug targets for tuberculosis, cardiovascular diseases, cancer and HIV: (a reverse docking study)

Abstract

Retusenol is a new triterpene discovered from the leaf extracts of Atalantia retusa Merr., a Philippine endemic shrub. With the emergence of drug resistance and drug tolerance in certain pathological conditions, it is a worthwhile endeavor to find possible medicinal applications of this natural product. Molecular docking of retusenol was performed against proteins that are putative drug targets in diverse diseases. Four enzymes were found to exhibit stronger binding affinity to retusenol compared to their known inhibitors, namely, enoyl-acp reductase, lanosterol synthase, polo-like kinase 1, and integrase. These enzymes are drug targets for tuberculosis, cardiovascular diseases, cancer and HIV, respectively.