A compound isolated and identified from Garcinia mangostana and used as an anti-colorectal cancer drug in silico approach

From the chloroform extract of the stem bark of Garcinia mangostana alpha mangostin was isolated. Characterization of this compound was established by spectral methods (IR, ¹HNMR and ¹³CNMR). In this study through the in silico approach, the isolated compound was used for molecular docking as anti-colorectal cancer. The ID of the protein (6MTU) was retrieved from the PDB database. Preparation of alpha mangostin, colorectal cancer protein, and Molecular Docking was carried out using Molecular Operating Environment software (MOE). The docking results of alpha mangostin show potent energy scores for anti-colorectal cancer; further investigations are needed. The pharmacological parameters of alpha mangostin were studied and predicted. It was found that alpha mangostin compound is suitable as an anti-colorectal cancer drug, completing all pharmacokinetic parameters with good figures. Alpha mangostin will be a promising anti-colorectal cancer that targeted specific proteins in the colon cell.