Chemical analysis and in silico anticancer and anti-inflammatory potentials of bioactive compounds from Moringaoleifera seed oil

Breast and prostate cancers are the first and second most leading cause of mortality and morbidity in women and men respectively. Today lots of drugs are available for treatment but their adverse effect, potentially distressing toxicity only add to patient discomfort and limits their use. Identification of novel sources for developing new anticancer drugs with little or no side effect is imperative. In vitro antioxidant activities crude and degummed Moringa oleifera seed oil were determined using standard methods. Fatty acid and phytosterols were identified through GC–MS. Molecular docking studies was performed to investigate the binding interactions between natural compounds and five various anti-cancer drug targets. Also the proteins were docked to standard inhibitors and the binding affinities were determined. Molecular interactions between proteins and ligands were viewed with discovery studio 4.5. The binding energy was compared with the known inflammatory, breast and prostate cancer inhibitory drugs namely: exemestane, talazoparib, pictilisib, thalidomide and Z-IETD-fmk. Crude oil exhibited more potent antioxidant activities than the degummed oil. Minerals and vitamins were reduced after degumming. Phytosterol showed that β-Sitosterol is the predominant phytosterol which was higher in the degummed oil. β-Sitosterol displayed the best inhibitory activity against the standard inhibitors except Z-IETD-fmk; while oleic acid exhibited poor binding energy when compared with the standard inhibitors except thalidomide. β-Sitosterol played a promising role against breast and prostate cancer protein targets and hence can act as a template for further studies as cancer drug candidates.