In silico molecular docking studies of squalene against gastric cancer related proteins: Prologue studies

Abstract

In the present study, squalene a terpenoid compound was isolated from R. mucronata methanolic leaves extract. The isolated and identified squalene compound was fixed with molecular docking against gastric cancer proteins such as HpFabZ, bcl2 and VEGF. Molecular docking studies were performed using autodock 4.0 sever. The docking score were noticed for isolated squalene compound and compared with some of the natural inhibitors like apigenin, amoxillin and luteolin and standard anti gastric cancer drugs like. Among these, squalene exhibited higher values of -13.579 against HpFabZ. But in the case of Bcl2 and VEGF proteins, squalene doesn’t show better docking score compared to the standard antigastric cancer drugs. In this present study, can be useful to design and develop novel compound with better inhibitory activity against a type of cancer. This potential agent would be a promising candidate and can be further validated in wet lab to study its proper function.