Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat
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Abstract
The authors unravel the molecular action principle of nafamostat and camostat, two potential COVID-19 drugs targeting the human protein TMPRSS2.
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SciScore for 10.1101/2020.07.21.214098: (What is this?)
Please note, not all rigor criteria are appropriate for all manuscripts.
Table 1: Rigor
NIH rigor criteria are not applicable to paper type.Table 2: Resources
Software and Algorithms Sentences Resources We used scipy’s [42] curve fitting algorithms to extract the IC50 with error estimates. scipy’ssuggested: NoneMolecular dynamics simulations: MD simulations were run with OpenMM 7.4.0 [43] using the CHARMM 36 force field (2019 version) [44] OpenMMsuggested: (OpenMM, RRID:SCR_000436)Camostat and nafamostat structures were taken from PubChem [45] with PubChem CIDs 4413 PubChemsuggested: (PubChem, RRID:SCR_004284)The latter are approximated using the matrix logarithm approximation of scipy [42] to compute the transition rate matrix R from the transition probability matrix T using the definition … SciScore for 10.1101/2020.07.21.214098: (What is this?)
Please note, not all rigor criteria are appropriate for all manuscripts.
Table 1: Rigor
NIH rigor criteria are not applicable to paper type.Table 2: Resources
Software and Algorithms Sentences Resources We used scipy’s [42] curve fitting algorithms to extract the IC50 with error estimates. scipy’ssuggested: NoneMolecular dynamics simulations: MD simulations were run with OpenMM 7.4.0 [43] using the CHARMM 36 force field (2019 version) [44] OpenMMsuggested: (OpenMM, RRID:SCR_000436)Camostat and nafamostat structures were taken from PubChem [45] with PubChem CIDs 4413 PubChemsuggested: (PubChem, RRID:SCR_004284)The latter are approximated using the matrix logarithm approximation of scipy [42] to compute the transition rate matrix R from the transition probability matrix T using the definition T = exp(Rτ) with the lag time τ. scipysuggested: (SciPy, RRID:SCR_008058)Results from OddPub: We did not detect open data. We also did not detect open code. Researchers are encouraged to share open data when possible (see Nature blog).
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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