Anti-COVID-19 activity of some benzofused 1,2,3-triazolesulfonamide hybrids using and analyses.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a pandemic fatal infection with no known treatment. The severity of the disease and the fast viral mutations forced the scientific community to search for potential solution. Here in the present manuscript, some benzofused1,2,3triazolesulfonamide hybrids were synthesized and evaluated for their anti- SARS-CoV-2 activity using prediction then the most potent compounds were assessed using analysis. The study was assessed against RNA dependent RNA polymerase, Spike protein S1, Main protease (3CLpro) and 2'-O-methyltransferase (nsp16). It was found that and showed high binding scores against RNA dependent RNA polymerase reached -8.40 and -8.75 ​kcal/mol, respectively compared to the approved antiviral (remdesivir -6.77 ​kcal/mol). Upon testing the binding score with SARS-CoV-2 Spike protein it was revealed that exhibited the highest score (-7.22 ​kcal/mol) compared to the reference antibacterial drug Ceftazidime (-6.36 ​kcal/mol). Surprisingly, the two compounds and showed the highest binding scores against SARS-CoV-2 3CLpro (-8.75, -8.48 ​kcal/mol, respectively) and nsp16 (- 8.84 and - 8.89 ​kcal/mol, respectively) displaying many types of interaction with all the enzymes binding sites. The derivatives and were examined for their potential anti-SARS-CoV-2 and it was revealed that was the most promising compound with IC50 reached 758.8108 ​mM and complete (100%) inhibition of the binding of SARS-CoV-2 virus to human ACE2 can be accomplished by using 0.01 ​mg.