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SARS-CoV-2 is a serious viral pathogen, and agents that inhibit its replication are in high demand. In the present work, we prepared two novel tryptanthrin derivates bearing a thiosemicarbazone moiety as potential antiviral agents. Both compounds displayed potent chelation activity against Fe(III/II) ion-associated COVID-19. The molecular docking results suggest that the compounds can display significant affinity towards SARS-CoV-2 papain-like proteases and SARS-CoV-2 main proteases. In addition, administering T8H-TSC can repress viral replication in the used model (Vero cells). Moreover, the therapeutic potential of the prepared compounds was predicted and analysed in terms of Lipinski’s rules, drug-likeness and drug score.
SARS-CoV-2, Physics, QC1-999, phaitanthrin A, molecular docking, antiviral, thiosemicarbazone, Chemistry, chelation, tryptanthrin, QD1-999, tryptanthrin; phaitanthrin A; thiosemicarbazone; SARS-CoV-2; antiviral; chelation; molecular docking
SARS-CoV-2, Physics, QC1-999, phaitanthrin A, molecular docking, antiviral, thiosemicarbazone, Chemistry, chelation, tryptanthrin, QD1-999, tryptanthrin; phaitanthrin A; thiosemicarbazone; SARS-CoV-2; antiviral; chelation; molecular docking
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