Investigation of anticancer phytomolecule, chlorophyll catabolite of Capsicum annuum, targeting MECOM protein: molecular docking insight

Abstract

MECOM (MDS1 and EVI1 complex locus protein EVI1), an oncogenic transcription factor, is involved in several kinds of cancers including gliobastoma multiforme. In the present study, we aimed to investigate the chemical properties of chlorophyll catabolite of Capsicum annuum (also known as Ca-FCC-2) and atomic interactions with MECOM protein. To perform the assessment of ADMET profile, SWISS-ADME webtool was exploited and molecular docking study was performed using Autodock Vina. The results showed that ca-FCC-2 potentially binds (ΔG = 7.0 kcal/mol) to the target protein with limited violation of the ADMET properties. Therefore, the ligand could be a plausible drug candidate to target MECOM, however, further experimental validations need to be performed.