ABSTRACT
304 305Cancer being a malignant disease, the cure and best treatment method has not been identified yet. Although, the drugs are reported to have narrow therapeutic index and are often palliative as well as unpredictable; in the last few decades, cancer chemotherapy has been developed as one of the major medical advancement in treating cancer types. To infer the existing difficulties and since the present era thrust in finding the alternatives from medicinal plants, quercetin, a compound isolated from Enicostemma littorale, was studied using molecular docking with its ability to predict the binding site and efficiency could be used in designing a drug. Few proteins involved in the cause of cancer are selected in this study, and their docking analysis was compared between the interactions of native ligands and quercetin. Among the ten proteins, quercetin was best interacting with Bcl-2 protein of G, with a score value -5.74 Kcal/mol and 9 number of interaction. Molecular dynamics analysis also indicated the stability of Bcl-2-quercetin complex at 74th sample among 100 samples generated during the simulation period of 1 ns. The reduction in potential energy was observed from -14658.9 ê to -14707.3 ê of 0-100th sample.
