DESIGN AND IN SILICO STUDIES ON DIFFERENT DENGUE VIRAL PROTEINS OF SOME COMPOUNDS BASED ON ACETOPHENONE SKELETON
Abstract
Aim: In this study, we performed the evaluation of anti-Dengue potential of some acetophenone derivatives and diazine with dihydroxyacetophenone skeleton derivatives, using molecular docking approach, as potential candidates for anti-dengue virus drug discovery. Material and methods: For this study 20 synthetic ligands were used. Docking studies were conducting using iGEMDOCK (Generic Evolutionary Method for molecular Docking) software. Results: The obtained results revealed that all the 20 compounds show good affinity with all the proteins; significant affinity was observed between the tested compounds and Dengue transmembrane domain of NS2A protein. Conclusions: The conclusion drawn from our virtual screening and docking result reveals that the investigated compounds have a good binding affinity with most of the proteins and some of they can be used as an effective drugs target for Dengue virus.
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