Targeting Key Signalling Pathways in Leukemia: A Docking-Based Approach for Drug Discovery

Cancer may be a sort of malady that bargains with advancement and multiplication of irregular cell, they have inclination to devastate typical cell. The aim of this research is to conduct a comprehensive review of key signaling pathways implicated in leukemia progression and to identify potential molecular targets, finally to perform molecular docking simulations to predict the binding affinities and interactions between selected ligands and target proteins. This investigate is centered on leukemia which is the cancer of the blood cell, caused by protein FLT3 gene, which we have targeted the signal pathway in leukemia using a docking based approach for drug discovery. In this thinks about, assortments of phytoconstituent were chosen selected, to check their liking for treating leukemia and the phytoconstituent were chosen on the criterial of lipkins rule and preADMET for ADME and toxicology prediction. The chosen phytoconstituent were associating with protein causing leukemia FLT3 (1ETE) utilizing schrodinger maestro software program to perform the docking.Result shows that resveratrol and pterostilbene shows a better docking score after the protein-ligand interaction with a binding score of -5.606 and -5.218 respectively, which underscores the potential of resveratrol and pterostilbene as a good candidate for inhibiting FLT3 gene causing leukemia compare to other selected phytoconstituent.