COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes
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SciScore for 10.1101/2021.08.30.458208: (What is this?)
Please note, not all rigor criteria are appropriate for all manuscripts.
Table 1: Rigor
Ethics not detected. Sex as a biological variable not detected. Randomization not detected. Blinding not detected. Power Analysis not detected. Table 2: Resources
No key resources detected.
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: We detected the following sentences addressing limitations in the study:This is a known limitation of the employed MM-GBSA approach, as extensively discussed in a recent review by Homeyer and Gohlke,[51] which also underlined its huge potential in predicting relative binding energies in biomolecular complexes [39,42,43,51], …
SciScore for 10.1101/2021.08.30.458208: (What is this?)
Please note, not all rigor criteria are appropriate for all manuscripts.
Table 1: Rigor
Ethics not detected. Sex as a biological variable not detected. Randomization not detected. Blinding not detected. Power Analysis not detected. Table 2: Resources
No key resources detected.
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: We detected the following sentences addressing limitations in the study:This is a known limitation of the employed MM-GBSA approach, as extensively discussed in a recent review by Homeyer and Gohlke,[51] which also underlined its huge potential in predicting relative binding energies in biomolecular complexes [39,42,43,51], precisely how this approach was used and discussed here. In this context, our analysis successfully reproduced the higher affinity of the SA strain, being in excellent agreement with experimental data,[40] thus further validating our computational setup. It is also interesting to observe that, despite the three mutations in the RBD area, the order of contributing residues is mostly unchanged among strains, which underlines the significance of single point mutations within this structural element and raises concerns that further mutations might likely offer even more problematic SARS-CoV-2 variants. Overall, we can summarize that, through the three mutations (N501Y, E484K, K417N), the SA variant increases its ACE2 affinity by –5.8 kcal mol−1, being solely responsible for almost 70% of the overall affinity gain (–8.2 kcal mol−1) between the SA strain and ACE2. This strongly confirms the hypothesis that positively selected virus mutations convey benefits regarding immune evasion and viral fitness, but also for the ACE2 binding, thus contributing to the evolution rate and expectedly causing higher disturbances in the infected organisms. Interactions between the MAO enzymes (MAO A and MAO B) and the spike protein from the WT SARS-C...
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.
Results from scite Reference Check: We found no unreliable references.
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