SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
Copyright policy )SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
AbstractDifferent SARS-CoV-2 new variants emerged and spread during the past few months, sparking infections and death counts. The new variant B.1.617 (delta variant) sparked in India in the past few months, causing the highest records. The B.1.617 variant of SARS-CoV-2 has the double mutations E484Q and L452R on its spike Receptor Binding Domain (RBD). The first mutation is like the reported South African and the Brazilian variants (501.V2 and B.1.1.248). This mutation lies in the region C480-C488, which we predicted before to be recognized by the host-cell receptor; Glucose Regulated Protein 78 (GRP78). In the current study, we test the binding affinity of the host-cell receptor GRP78 to the delta variant spike RBD using molecular docking and molecular dynamics simulations of up to 100 ns. Additionally, the ACE2-RBD is tested by protein–protein docking. The results reveal equal average binding affinities of the GRP78 against wildtype and delta variant spikes. This supports our previous predictions of the contribution of GRP78 in SARS-CoV-2 spike recognition as an auxiliary route for entry.
- Cairo University Egypt
Docking (animal), Nursing, Infectious disease (medical specialty), Coronavirus Disease 2019 Research, FOS: Health sciences, Biochemistry, Gene, Article, Affinities, Biochemistry, Genetics and Molecular Biology, Health Sciences, Genetics, Pathology, Disease, Molecular Biology, Biology, Protein Structure Prediction and Analysis, Spike Protein, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), In silico, Mutant, Life Sciences, Coronavirus disease 2019 (COVID-19), ACE2 Receptor, Infectious Diseases, Computational Theory and Mathematics, FOS: Biological sciences, Computer Science, Physical Sciences, Mutation, Medicine, Computational Methods in Drug Discovery, Receptor
Docking (animal), Nursing, Infectious disease (medical specialty), Coronavirus Disease 2019 Research, FOS: Health sciences, Biochemistry, Gene, Article, Affinities, Biochemistry, Genetics and Molecular Biology, Health Sciences, Genetics, Pathology, Disease, Molecular Biology, Biology, Protein Structure Prediction and Analysis, Spike Protein, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), In silico, Mutant, Life Sciences, Coronavirus disease 2019 (COVID-19), ACE2 Receptor, Infectious Diseases, Computational Theory and Mathematics, FOS: Biological sciences, Computer Science, Physical Sciences, Mutation, Medicine, Computational Methods in Drug Discovery, Receptor
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