Estimation of apoptosis-inducing compounds present in Gomphrena globosa by molecular docking.

Autor: Ravichandran, Rachinnth, Lashmanasamy, Akash, Vinayagam, Akash, Nair, Aneesh, Tilton, Florida
Předmět:
Zdroj: Journal of BioScience & Biotechnology; 2021, Vol. 10 Issue 1, p1-8, 8p
Abstrakt: Gomphrena globosa, a species of flowering plant from the family Amaranthaceae, is accredited to possess several bioactive compounds that have shown considerable pharmacological properties. This study aims to identify the specific compound(s) responsible for the anti-cancer activity and assess its mechanism of action, especially concerning any interaction with anti-apoptotic proteins and apoptosis. Prepared extracts for both the flower and the leaves of the plant specimen in chloroform and ethanol, were subjected to an initial phytochemical analysis, which revealed the presence of several pharmacologically relevant phytochemicals in both the solvents. An antioxidant scavenging assay (DPPH) as well as cell proliferation assay (MTT) on the MCF-7 breast cancer cell lines, was also performed, both of which confirmed the anti-cancer potential of the plant where the greater extent of cytotoxic potential was shown by the chloroform extracts, especially by the leaf chloroform extract. A DNA fragmentation assay was conducted, which revealed that the cell had undergone apoptosis via a distinct DNA banding pattern seen under UVvisualization. A thorough literature review of the compounds present in the chloroform extract of Gomphrena globosa was collected, and 12 compounds were selected to perform a comprehensive molecular docking analysis against known antiapoptotic protein receptors (Bcl-Xl, Mcl-1, Bcl-B, and Bcl-W). It was evident from the docking analysis, that three compounds, namely Chysoeriol glycoside, Betalain, and Oleuropein aglycone bound with a substantially high degree of energy at the binding site. Therefore, the possible mechanism of action may be attributed to the interaction of the phytocompounds with these anti-apoptotic proteins. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index