Design and synthesis of novel triazole based small molecules mimicking HDACi as new modular drugs candidate against Omicron and Future varients of Sars-Cov-2
DOI:
https://doi.org/10.56042/ijc.v64i8.12833Keywords:
Small molecule Library, Click chemistry, HDACi, Docking, Quantitative structure property relationship (QSPR), Drug likelinessAbstract
Abstract
Down to the multi-modal nature of coivd 19 infection, dual target inhibition simultaneously by a solo molecule can be helpful and operative method against coivd 19 and its variants. Histone-deacetylase (HDAC) was extensively examined as a useful class of anti-cancer objective due to its dynamic part in numerous biotic biological progressions, for example cell-proliferation, cell-metastasis, and cell-apoptosis. Numerous HDACi (HDAC-inhibitors) like vorinostat, panobinostat are clinically permitted and their direct usage in covid 19 patients may be helpful. Therefore, in this work, we report five novel small molecules mimicking HDACi with a double targeting capability of HDAC and covid 19 causing proteins Mpro and its variant omicron S-protein. The strategy is use of simple click reaction to develop our compounds and their in-silico study as inhibitor of covid 19 infection.
