DESIGN AND IN SILICO STUDIES ON DIFFERENT DENGUE VIRAL PROTEINS OF SOME COMPOUNDS BASED ON ACETOPHENONE SKELETON
Ana‐Maria Zbancioc · The Medical-Surgical Journal · 2023
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 conduc ting 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 ta rget for Dengue virus.