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

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.

Publication Details

Journal
Indian Journal of Chemistry
Published
2025-08-25
DOI
https://doi.org/10.56042/ijc.v64i8.12833
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00

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article

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

Indian Journal of Chemistry
Computational Drug Discovery Methods
article

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

article en

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.

Indian Journal of ChemistryVol. 64(8)
Presidency University, Science and Engineering Research Board
Openalex Percentile: Top 76%
Computational Drug Discovery Methods
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