Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug Carmofur
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Abstract
The antineoplastic drug Carmofur was shown to inhibit SARS-CoV-2 main protease (M pro ). Here the X-ray crystal structure of M pro in complex with Carmofur reveals that the carbonyl reactive group of Carmofur is covalently bound to catalytic Cys145, whereas its fatty acid tail occupies the hydrophobic S2 subsite. Carmofur inhibits viral replication in cells (EC 50 = 24.30 μM) and it is a promising lead compound to develop new antiviral treatment for COVID-19.
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SciScore for 10.1101/2020.04.09.033233: (What is this?)
Please note, not all rigor criteria are appropriate for all manuscripts.
Table 1: Rigor
Institutional Review Board Statement not detected. Randomization not detected. Blinding not detected. Power Analysis not detected. Sex as a biological variable not detected. Cell Line Authentication Authentication: Vero E6 cells were from ATCC with authentication.
Contamination: We confirm that all cells were tested as mycoplasma negative.Table 2: Resources
Experimental Models: Cell Lines Sentences Resources Vero E6 cells were from ATCC with authentication. Vero E6suggested: RRID:CVCL_XD71)Software and Algorithms Sentences Resources The structure was determined by molecular replacement (MR) with the PHASER22 and Phenix 1.17.123 using the SARS-CoV-2 Mpro (PDB ID: 6LU7) as a search template. Phenixsuggested: (Phenix, …SciScore for 10.1101/2020.04.09.033233: (What is this?)
Please note, not all rigor criteria are appropriate for all manuscripts.
Table 1: Rigor
Institutional Review Board Statement not detected. Randomization not detected. Blinding not detected. Power Analysis not detected. Sex as a biological variable not detected. Cell Line Authentication Authentication: Vero E6 cells were from ATCC with authentication.
Contamination: We confirm that all cells were tested as mycoplasma negative.Table 2: Resources
Experimental Models: Cell Lines Sentences Resources Vero E6 cells were from ATCC with authentication. Vero E6suggested: RRID:CVCL_XD71)Software and Algorithms Sentences Resources The structure was determined by molecular replacement (MR) with the PHASER22 and Phenix 1.17.123 using the SARS-CoV-2 Mpro (PDB ID: 6LU7) as a search template. Phenixsuggested: (Phenix, RRID:SCR_014224)The model from MR was subsequently subjected to iterative cycles of manual model adjustment with Coot 0.824 and refinement was completed with Phenix REFINE25. Cootsuggested: (Coot, RRID:SCR_014222)Results from OddPub: Thank you for sharing your data.
Results from LimitationRecognizer: An explicit section about the limitations of the techniques employed in this study was not found. We encourage authors to address study limitations.Results from TrialIdentifier: No clinical trial numbers were referenced.
Results from Barzooka: We did not find any issues relating to the usage of bar graphs.
Results from JetFighter: We did not find any issues relating to colormaps.
Results from rtransparent:- Thank you for including a conflict of interest statement. Authors are encouraged to include this statement when submitting to a journal.
- Thank you for including a funding statement. Authors are encouraged to include this statement when submitting to a journal.
- No protocol registration statement was detected.
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