Viral protein-drug

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Molecular interaction studies of Hydroxychloroquine (HCQ) and its designed analog PMP329 with SARS-CoV-2 functional proteins such as 3CLpro, PLpro and RdRp
PMID 32633733
Title Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations
Author(s) nameProcacci P, Macchiagodena M, Pagliai M, Guarnieri G, Iannone F.
Journal Chem Commun (Camb)
Impact factor~5.996
Citation count5
Date of publishing2020 Aug 4
The in silico structural analysis of the Boceprevir bound complexes of SARS-CoV-2 Mpro and its R60C mutant revealed that the R60C mutation in the Main protease (Mpro) decreases the stability of protein and affects the binding of inhibitor.
PMID 32881907
Title 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
Author(s) nameKhan MI, Khan ZA, Baig MH, Ahmad I, Farouk AE, Song YG, Dong JJ.
Journal PLoS One
Impact factor2.87
Citation count7
Date of publishing2020