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Title: SARS-CoV-2 Membrane Protein: From Genomic Data to Structural New Insights
Authors: Marques-Pereira, Catarina 
Pires, Manuel N.
Gouveia, Raquel P. 
Pereira, Nádia N. 
Caniceiro, Ana B. 
Rosário-Ferreira, Nícia 
Moreira, Irina S. 
Keywords: SARS-CoV-2; genomics; proteomics
Issue Date: 10-Mar-2022
Serial title, monograph or event: International Journal of Molecular Sciences
Volume: 23
Issue: 6
Abstract: Severe Acute Respiratory Syndrome CoronaVirus-2 (SARS-CoV-2) is composed of four structural proteins and several accessory non-structural proteins. SARS-CoV-2's most abundant structural protein, Membrane (M) protein, has a pivotal role both during viral infection cycle and host interferon antagonism. This is a highly conserved viral protein, thus an interesting and suitable target for drug discovery. In this paper, we explain the structural nature of M protein homodimer. To do so, we developed and applied a detailed and robust in silico workflow to predict M protein dimeric structure, membrane orientation, and interface characterization. Single Nucleotide Polymorphisms (SNPs) in M protein were retrieved from over 1.2 M SARS-CoV-2 genomes and proteins from the Global Initiative on Sharing All Influenza Data (GISAID) database, 91 of which were located at the predicted dimer interface. Among those, we identified SNPs in Variants of Concern (VOC) and Variants of Interest (VOI). Binding free energy differences were evaluated for dimer interfacial SNPs to infer mutant protein stabilities. A few high-prevalent mutated residues were found to be especially relevant in VOC and VOI. This realization may be a game-changer to structure-driven formulation of new therapeutics for SARS-CoV-2.
ISSN: 1422-0067
DOI: 10.3390/ijms23062986
Rights: openAccess
Appears in Collections:I&D CNC - Artigos em Revistas Internacionais
IIIUC - Artigos em Revistas Internacionais
I&D CQC - Artigos em Revistas Internacionais
FCTUC Ciências da Vida - Artigos em Revistas Internacionais
I&D CIBB - Artigos em Revistas Internacionais

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