Shyamapada Mandal
University of Gour Banga, India
Title: Validation of anti-MPXV activity of myricetin by in silico methods
Biography
Biography: Shyamapada Mandal
Abstract
The monkeypox, a localized zoonotic disease in Central and West Africa due to the monkeypox virus (MPXV) infection, is now a matter of global concern because of the (ongoing) multi-country outbreak in the rest of the world. An antiviral agent, Tecovirimat (TVM), designed to treat smallpox, is an FDA approved drug that is also licensed to treat monkeypox. However, due to the possible development of resistance to MPXV, TVM treatment failure of monkeypox might be anticipated. In order to check the antiviral efficacy of a plant-derived small molecule (myricetin; MRC) along with the standard drug TVM, against MPXV, molecular docking was performed between MPXV-based proteins (A42R profilin-like protein and MPXV-virulence protein) and the ligands (MRC and TVM), using AutoDock Vina. The binding energy (BE) of MRC to the A42R and virulence proteins were predicted as -7.8 and 7.0 kcal/mol, respectively, while the respective BE values for TVM were -9.0 and 7.6 kcal/mol. Furthermore, the acceptable ADMET profiles and Lipinski’s rule of five of MRC suggest the plant-based natural drug development with the studied compound for combating the monkeypox.