|
?:abstract
|
-
BACKGROUND: COVID-19, caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), is currently outbreaking and posing significant threats to public health worldwide. It is notable that a substantial proportion of COVID-19 severe patients coexist diabetic conditions, indicating the progression and outcome of COVID-19 may relate to diabetes. However, it is still unclear that whether the diabetic treatment principles can be used for the treatment of COVID-19. METHODS: We conducted a computational approach to screened all commonly used clinical oral hypoglycemic drugs to identify the potential inhibitors for the main protease (Mpro ) of SARS-CoV-2, which is one of the key drug targets for anti-COVID-19 drug discovery. RESULTS: Six antidiabetic drugs with docking scores higher than 8.0 (cutoff value), including repaglinide, canagliflozin, glipizide, gliquidone, glimepiride, and linagliptin, were predicted as the promising inhibitors of Mpro . Interestingly, repaglinide, one of the six antidiabetic drugs employed the highest docking score for Mpro , was similar to a previously predicted active molecule-nelfinavir, which is a potential anti-HIV and anti-COVID-19 drug. Moreover, we found repaglinide shared similar docking pose and pharmacophores with reported ligand (N3 inhibitor) and nelfinavir, demonstrating that repaglinide would interact with Mpro in a similar way. CONCLUSION: These results indicated an extra effect on anti-COVID-19 may offer by above 6 antidiabetic drugs, while further researches are necessary to confirm these findings. This article is protected by copyright. All rights reserved.
|
![[This page as RDF]](https://research.tib.eu/covid-19/static/rdf-icon.gif){kind=icon}