DOCKING STUDY OF SELECTED CALOTROPIS GIGANTEA LEAVES CONSTITUENTS ON DENGUE VIRAL PROTEINS â€“ AN IN SILICO APPROACH
Anushree S, Archana S, Ashwini B M, Mahesh K, Murugan Rajadurai and Balasubramanian Sathyamurthy*
Dengu virus has seven major non structural proteins which are considered to be most effective for drug designing. Recent studies have shown that these proteins can effectively cause inactivation of dengue process in humans. Calatropis gigantea phytochemicals are reported to have antiinflamatory and antimicrobial properties. In the present study, the binding efficiency of 5 compounds that are present in the Calatropis gigantea with all the seven proteins through in silico methods was carries out. By our virtual screening and docking result, we found that the Compound D and Compound E have highest binding affinity with the proteins and also we predicted the binding site amino acid residues and the type of hydrogen bonding.
Keywords: Binding Interaction, Molecular Docking, Hydrogen Bond.
[Full Text Article]