PHYTOCHEMICAL AND MOLECULAR DOCKING ANALYSES OF PROSOPIS JULIFLORA DERIVED PHYTOCHEMICALS AGAINST ANTI-APOPTOTIC PROTEIN BCL-2
Senbagarani Renganathan, Sunil Kumar Sahu and Kandasamy Kathiresan*
ABSTRACT
Anti-apoptotic proteins play a pivotal role in the deactivation of the
apoptosis process in cancer. Apoptosis process can be activated in
cancer state by inhibiting anti-apoptotic proteins (BCL2) and inhibition
of antiapoptotic Bcl-2 family members is a major target for anticancer
therapies. In the present study the drought tolerant and highly invasive
plant species Prosopis juliflora (Sw.) was initially subjected for
phytochemical screening followed by Gas chromatography-mass
spectroscopic analyses which revealed the presence of of alkaloids,
flavonoids, steroids, phenolics and tannins, and five bioactive
compounds namely 2-pentadecanone; butyl 2-ethylhexyl phthalate;
methyl 10-methylheptadecanoate; methyl oleate; and phorbol-12, 13-
dihexanoate. These identified bioactive compounds were screened
against BCL2 protein using molecular docking approach. Of five
compounds phorbol-12,13-dihexanoate showed best docking score of –
15.644 Kcal/mol followed by methyl oleate (-13.191 Kcal/mol) than the previously
reported potent inhibitors indicating the therapeutic importance of P. juliflora-derived
phytochemicals against anti-apoptic BCL2 protein
Keywords: Prosopis juliflora; phytochemicals; apoptosis; BCL2; molecular docking; GC-MS.
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