Computational assessment of the binding interactions of drugs is essential for enhancing the discovery of new drugs. In this perspective approved drugs for Leukemia Imantinib and Tretinoin and Garcinol a bioactive component of Garcinia indica was docked into inhibitor binding cavity of Nuclear Factor kappa B receptor and Tyrosine kinase receptor to understand their mode of binding interactions in silico. Lamarckian genetic algorithm methodology was employed for docking simulations using AutoDock 4.2 program. The results signify that Garcinol has significant free energy of binding which is close to that of the reference standards Imantinib and Tretinoin. These molecular docking studies in our view will contribute for further development of plant derived anti-leukemic drugs.
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