A VIRTUAL SCREENING AND MOLECULAR DYNAMICS SIMULATION IN-SILICO STUDY OF ANTICANCER ACTIVITY FROM CITRUS HYSTRIX FRUIT EXTRACT AGAINST a-pan-BCR-ABL PROTEIN OF LEUKAEMIA

Abstract:

Citrus hystrix, a fruit that is anticancer and a member of the rutaceae family, is easily found. Kaffir lime is used both as a physical food and as a herbal remedy for a variety of ailments, including heart disease, vertigo, and indigestion. Citrus hystrix can be utilised as a comprehensive cancer treatment. As of yet, the molecular mechanism underlying kaffir lime's anticancer activity remains unclear. The crystal structure of a-pan-BCR-ABL was obtained from the Protein Data Bank.When the leukaemia protein was molecularly docked with the active component (𝛽-pinene, terpinen-4-ol) of citrus hystrix, the proliferation of leukaemia cells was significantly reduced. This study demonstrated the potential of kaffir lime to prevent leukaemia.This study demonstrates citrus hystrix's capacity to prevent leukaemia cancer. The study's findings offer significant new drug candidate.

KEYWORDS: Citrus hystrix, a-pan-BCR-ABL, 𝛽 -pinene and terpinen-4-ol .