ArticleComputational biology and chemistry2005
A molecular docking model of SARS-CoV S1 protein in complex with its receptor, human ACE2.
Article in Computational biology and chemistry, 2005. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed, 39 citations in OpenAlex.
- Article
- Current Status of Microneedle Array Technology for Therapeutic Delivery: From Bench to Clinic.Molecular biotechnology · 2024Review
- Targeting Viral ORF3a Protein: A New Approach to Mitigate COVID-19 Induced Immune Cell Apoptosis and Associated Respiratory Complications.Advanced pharmaceutical bulletin · 2023Review
- The effect of various compounds on the COVID mechanisms, from chemical to molecular aspects.Biophysical chemistry · 2022Review
- Autophagy and evasion of the immune system by SARS-CoV-2. Structural features of the non-structural protein 6 from wild type and Omicron viral strains interacting with a model lipid bilayer.Chemical science · 2022Article
- Mechanisms of SARS-CoV-2 Infection-Induced Kidney Injury: A Literature Review.Frontiers in cellular and infection microbiology · 2022Review
- Computational studies reveal Fluorine based quinolines to be potent inhibitors for proteins involved in SARS-CoV-2 assembly.Journal of fluorine chemistry · 2021Article
- SARS-CoV-2 nucleocapsid and Nsp3 binding: an in silico study.Archives of microbiology · 2021Article
- Relationship Between COVID-19 and Angiotensin-Converting Enzyme 2: A Scoping Review.Advances in experimental medicine and biology · 2021Article
- Contributions of human ACE2 and TMPRSS2 in determining host-pathogen interaction of COVID-19.Journal of genetics · 2021Review
- COVID-19-A Theory of Autoimmunity Against ACE-2 Explained.Frontiers in immunology · 2021Review
- Differential binding of SARS-CoV-2 Spike protein variants to its cognate receptor hACE2 using molecular modeling based binding analysis.Bioinformation · 2021Article
- Twenty years of progress in angiotensin converting enzyme 2 and its link to SARS-CoV-2 disease.Clinical science (London, England : 1979) · 2020Review
- Cannabinoid Receptor Type 2: A Possible Target in SARS-CoV-2 (CoV-19) Infection?International journal of molecular sciences · 2020Review
- Prognostic Significance of COVID-19 Receptor ACE2 and Recommendation for Antihypertensive Drug in Renal Cell Carcinoma.BioMed research international · 2020Article
- Article
- Review
- The spike protein of SARS-CoV--a target for vaccine and therapeutic development.Nature reviews. Microbiology · 2009Review
- Severe acute respiratory syndrome coronavirus entry into host cells: Opportunities for therapeutic intervention.Medicinal research reviews · 2006Review
- Drug Repurposing Against Angiotensin-Converting Enzyme-Related Carboxypeptidase (ACE2) Through Computational Approach.Journal of medical signals and sensorsArticle
Corrections and comments
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Authors and funding
5 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The exact residues within severe acute respiratory syndrome coronavirus (SARS-CoV) S1 protein and its receptor, human ACE2, involved in their interaction still remain largely undetermined. Identification of exact amino acid residues that are crucial for the interaction of S1 with ACE2 could provide working hypotheses for experimental studies and might be helpful for the development of antiviral inhibitor. In this paper, a molecular docking model of SARS-CoV S1 protein in complex with human ACE2 was constructed. The interacting residue pairs within this complex model and their contact types were also identified. Our model, supported by significant biochemical evidence, suggested receptor-binding residues were concentrated in two segments of S1 protein. In contrast, the interfacial residues in ACE2, though close to each other in tertiary structure, were found to be widely scattered in the primary sequence. In particular, the S1 residue ARG453 and ACE2 residue LYS341 might be the key residues in the complex formation.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.