Investigation of nonsynonymous mutations in the spike protein of SARS-CoV-2 and its interaction with the ACE2 receptor by molecular docking and MM/GBSA approach.
PMID: 34346317
2021
Computers in biology and medicine
Result: In combination, structure-based online servers predicted 17 nonsynonymous mutations (L8V, L8W, L18F, S71F, Y145H, M153T, F157S, S221L, S221W, S247R, G476S, L611F, A831V, A852V, A879S, C1247F, and C1254F) with decreased stability, and 7 nonsynonymous mutations (H49Y, S50L,
Table: S247R
Natural and Recombinant SARS-CoV-2 Isolates Rapidly Evolve In Vitro to Higher Infectivity through More Efficient Binding to Heparan Sulfate and Reduced S1/S2 Cleavage.
Method: Additional models of S trimers individually harboring I68R, N74K, or S247R mutations were generated using Coot.
Result: However, the possible benefit of S247R for viral infectivity and spread cannot be completely ruled out.
Result: In addition, we have also detected an S247R substitution in all the samples of passaged WA1/2020.
Discussion: 10), are also located relatively close to the above-described S247R.
Discussion: A small fraction of passaged WA1/2020 contained another mutation, S247R, which also contributes to an increase in the positive charge of the NTD surface.
Comparative genome analysis of novel coronavirus (SARS-CoV-2) from different geographical locations and the effect of mutations on major target proteins: An in silico insight.
Result: For instance, India, Finland, Australia, South Korea and Sweden SARS-CoV-2 isolates showed one amino acid change at 408 (Arginine to Isoleucine), 49 (Histidine to Tyrosine), 247 (Serine to Arginine), 221 (Serine to Tryptophan) and 797 (Phenylalanine to Cysteine), respectively (Table 2 and Fig 3C).