Combination and Molecular Docking Studies of 1,2,3-triazole, Pyrimidin-2-thione Rings for Potential Anti-covid-19 Activity
Year: 2026
Type: article
Abstract: A combination of 1,2,3-triazole and pyrimidin-2-thione moieties in the same matrix was achieved via a multi-step synthetic pathway. The target novel 1,2,3-triaozle-pyrimidin-2-thione derivatives 4a-f were obtained via the condensation reaction of the synthesized chalcones 3a-f with thiourea in the presence of sodium hydroxide. Compounds 4a-f were characterized by FT-IR, 1H-NMR and 13C-NMR spectroscopies. The biological activity of the synthesized compounds 4a-f and their precursors 3a-f as antiviral was studied by molecular docking analysis against two selected enzymes (7dpp and 8cx9) which play an essential role in SARS-CoV-2 replication. Practically, the results revealed that all the synthesized compounds 4a-f and their precursors 3a-f displayed a promising binding affinity into the active site pocket through the target proteins compared to Remdesivir, X77 and N3 as standard antiviral drugs.
Authors: AHMED A. KOZAN, RIYADH J. NAHI
Institution: Al-Muthanna University
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W7158746015
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