Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
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Abstract
We report the identification of three structurally diverse compounds – compound 4, GC376, and MAC-5576 – as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for designing SARS-CoV-2 3CL protease inhibitors. These compounds may therefore serve as leads for the basis of building effective SARS-CoV-2 3CL protease inhibitors.
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SciScore for 10.1101/2020.08.03.235291: (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 Cells were incubated at 37 °C under 5% CO2 for 72 h and then viral cytopathic effect was scored in a blinded manner. Power Analysis not detected. Sex as a biological variable not detected. Cell Line Authentication Contamination: Cells were confirmed as mycoplasma negative prior to use. Table 2: Resources
Experimental Models: Cell Lines Sentences Resources Measurement of cellular cytotoxicity: Vero-E6 cells were incubated with the compound of interest for 48 h at 37 °C under 5% CO2 and then cellular cytotoxicity was determined with the XTT Cell Proliferation Assay Kit (ATCC) according to the manufacturer’s instructions. Vero-E6su…SciScore for 10.1101/2020.08.03.235291: (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 Cells were incubated at 37 °C under 5% CO2 for 72 h and then viral cytopathic effect was scored in a blinded manner. Power Analysis not detected. Sex as a biological variable not detected. Cell Line Authentication Contamination: Cells were confirmed as mycoplasma negative prior to use. Table 2: Resources
Experimental Models: Cell Lines Sentences Resources Measurement of cellular cytotoxicity: Vero-E6 cells were incubated with the compound of interest for 48 h at 37 °C under 5% CO2 and then cellular cytotoxicity was determined with the XTT Cell Proliferation Assay Kit (ATCC) according to the manufacturer’s instructions. Vero-E6suggested: NoneSoftware and Algorithms Sentences Resources IC50 values were determined by fitting an asymmetric sigmoidal curve to the data (GraphPad Prism). GraphPadsuggested: (GraphPad Prism, RRID:SCR_002798)The mapping of electrostatic potential surfaces was generated in PyMOL with the APBS plug-in19. PyMOLsuggested: (PyMOL, RRID:SCR_000305)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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