MOLECULAR DYNAMICS SIMULATION-BASED PHYTOCHEMICAL SCREENING OF BITTER LIFE (VERNONIA AMYGDALINA) LEAF EXTRACT AGAINST NASOPHARYNGEAL CANCER BY TARGETING EPSTEIN-BARR VIRUS

The anti-cancer bitter life, vernonia amygdallina, is a member of the Asteraceae family and is commonly found in India. It is used to treat paralysis, rheumatism, leprosy, ulcers, and epilepsy. When treating Nasopharyngeal cancer, vernonia amygdalina can be utilised as a comprehensive treatment. The precise chemical mechanism underlying bitter leaf' anticancer action is still unknown. The Epstein-barr virus (EBV) line’s crystal structure was obtained from the Protein Data Bank. When the active ingredients of vernonia amygdallina (rhoifolin, luteolin,diosmetin, and baicalin) were molecularly docked with cervical cancer protein, the proliferation of cervical cancer cells was significantly reduced and altered. Exoecaria agallocha has the ability to prevent cervical cancer, as demonstrated by this experiment. The study's conclusions provide important new information.

Keywords:  Vernonia amygdallina, Epstein-barr virus., rhoifolin, luteolin, diosmetin, and baicalin