Author: M. Shaminur Rahman; M. Nazmul Hoque; M. Rafiul Islam; Salma Akter; A. S. M. Rubayet-Ul-Alam; Mohammad Anwar Siddique; Otun Saha; Md. Mizanur Rahaman; Munawar Sultana; M. Anwar Hossain
Title: Epitope-based chimeric peptide vaccine design against S, M and E proteins of SARS-CoV-2 etiologic agent of global pandemic COVID-19: an in silico approach Document date: 2020_3_31
ID: 0yqyclxk_11
Snippet: From the selected epitopes from the RBD and NTD segments, top five based on IC 50 230 score were used in molecular docking analysis using the GalaxyWeb server with their respective 231 HLA allele binders, in which they revealed significantly favorable molecular interaction for 232 binding affinity. Docking complexes thus formed have significantly negative binding energy, 233 and most of the aa residues of the epitopes were involved in molecular i.....
Document: From the selected epitopes from the RBD and NTD segments, top five based on IC 50 230 score were used in molecular docking analysis using the GalaxyWeb server with their respective 231 HLA allele binders, in which they revealed significantly favorable molecular interaction for 232 binding affinity. Docking complexes thus formed have significantly negative binding energy, 233 and most of the aa residues of the epitopes were involved in molecular interactions with their 234 respective HLA alleles (Supplementary data 1). The epitope-HLA docking complexes were 235 further refined with GalaxyRefineComplex, and their binding affinity was analyzed through 236 PRODIGY web-server. All of the selected epitopes showed significantly negative binding 237 affinity (ΔG always remained ≤ -8.2 kcal mol -1 , average = -9.94 kcal mol -1 , Fig. 4
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