In-Silico Screening of Lung Cancer Inhibiting Potential of the Chemical Constituents of N-Hexane Extract of Elaisi guineenses

Abstract

Palm oil is an edible vegetable oil that is rich in saturated fat, it is derived from the mesocarp of the oil palm fruit especially the African oil palm fruit (Elaisi guineenses), this study investigates the possible inhibition of lung cancer cells using the bioactive constituents of Elaisi guineenses. The chemical constituents of the oil were extracted in n-hexane, analyzed with Fourier transform infrared spectrometer (FTIR) and gas chromatography-mass spectrometry (GC–MS) studies. Absorption, distribution, metabolism and elimination and toxicity (ADMET) properties were predicted using ADMETSAR online software while the molecular docking was achieved using the Autodock Vina found in PYRX software. The ADMET properties of the constituents showed that they are good drug leads for lung cancer treatment. The docking result revealed that 1,4,10,13-tetraoxa-7,16- dithiacyclooctadecane gave a good binding affinity  (-5.8 kcal mol-1) that is close to that of the control (Osimertinib) (-7.8 k cal mol-1). The obtained results showed that palm oil may be a promising lead candidate for the treatment of lung cancer.