Anti-cancer activity of leaves explained using its compounds docked with p53.

Extensive research on the mutant P53 protein has identified its pivotal role in anti-apoptosis mechanisms, drug resistance, and cancer progression in OSCC. The mass spectrum revealed the pharmacologically significant bioactive compounds reported for the first time in C cainito. Molecular docking investigation has identified four potential new P53 inhibitors compared with the standard P53 inhibitors.

Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves.

It is of interest to document the molecular docking analysis of Cyclin-dependent kinase 1 (CDK-1) inhibitors from Chrysophyllum cainito leaves towards the treatment of tumors using the known structure of PDB ID: 5HQ0. Data shows that molecules such as 8- (Dimethylamino)-7-(3-(4-ethylphenoxy)-2d, ethyl 6-oxo-5-propylheptanoate, 2,3-dihydro-3, 5-dihydroxy-6-methyl-4h-pyran-4-one, 1,2,3-benzenetriol and 1,4-benzenediol 2,5-bis (1,1-dimethylethyl) identified in methanolic extract of C. cainito have binding features with CDK1 for further consideration.