ArticleBiotechnology progress2021
Computational drug repurposing study of the RNA binding domain of SARS-CoV-2 nucleocapsid protein with antiviral agents.
Article in Biotechnology progress, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed, 36 citations in OpenAlex.
- Safety and efficacy of sirolimus in hospitalised patients with COVID-19 pneumonia.Respiratory investigation · 2024Trial
- Molecular characterization of SARS-CoV-2 nucleocapsid protein.Frontiers in cellular and infection microbiology · 2024Review
- Review
- Molecular and therapeutic insights of rapamycin: a multi-faceted drug from Streptomyces hygroscopicus.Molecular biology reports · 2023Review
- Suramin Disturbs the Association of the N-Terminal Domain of SARS-CoV-2 Nucleocapsid Protein with RNA.Molecules (Basel, Switzerland) · 2023Article
- Article
- The SARS-CoV-2 nucleocapsid protein: its role in the viral life cycle, structure and functions, and use as a potential target in the development of vaccines and diagnostics.Virology journal · 2023Review
- In-silico screening to delineate novel antagonists to SARS-CoV-2 nucleocapsid protein.Physics and chemistry of the earth (2002) · 2022Article
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Structure-guided affinity maturation of a novel human antibody targeting the SARS-CoV-2 nucleocapsid protein.Scientific reports · 2022Article
- Inflammatory activation and immune cell infiltration are main biological characteristics of SARS-CoV-2 infected myocardium.Bioengineered · 2022Article
- Identification and characterization of alternative sites and molecular probes for SARS-CoV-2 target proteins.Frontiers in chemistry · 2022Article
- Identification of 1, 2, 4-Triazine and Its Derivatives Against Lanosterol 14-Demethylase (CYP51) Property ofFrontiers in medical technology · 2022Article
- Plant Source Derived Compound ExhibitedFrontiers in pharmacology · 2022Article
- Novel Drug Design for Treatment of COVID-19: A Systematic Review of Preclinical Studies.The Canadian journal of infectious diseases & medical microbiology = Journal canadien des maladies infectieuses et de la microbiologie medicale · 2022Review
- WLLP: A weighted reconstruction-based linear label propagation algorithm for predicting potential therapeutic agents for COVID-19.Frontiers in microbiology · 2022Article
- Mass Spectrometry Analysis of SARS-CoV-2 Nucleocapsid Protein Reveals Camouflaging Glycans and Unique Post-Translational Modifications.Infectious microbes & diseases · 2021Article
- Review
- Rapamycin: Drug Repurposing in SARS-CoV-2 Infection.Pharmaceuticals (Basel, Switzerland) · 2021Review
- Computational drug repurposing study of the RNA binding domain of SARS-CoV-2 nucleocapsid protein with antiviral agents.Biotechnology progress · 2021Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
The recent outbreak of coronavirus disease (COVID-19) in China caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has led to worldwide human infections and deaths. The nucleocapsid (N) protein of coronaviruses (CoVs) is a multifunctional RNA binding protein necessary for viral RNA replication and transcription. Therefore, it is a potential antiviral drug target, serving multiple critical functions during the viral life cycle. This study addresses the potential to repurpose antiviral compounds approved or in development for treating human CoV induced infections against SARS-CoV-2 N. For this purpose, we used the docking methodology to better understand the inhibitory mechanism of this protein with the existing 34 antiviral compounds. The results of this analysis indicate that rapamycin, saracatinib, camostat, trametinib, and nafamostat were the top hit compounds with binding energy (-11.87, -10.40, -9.85, -9.45, -9.35 kcal/mol, respectively). This analysis also showed that the most common residues that interact with the compounds are Phe66, Arg68, Gly69, Tyr123, Ile131, Trp132, Val133, and Ala134. Subsequently, protein-ligand complex stability was examined with molecular dynamics simulations for these five compounds, which showed the best binding affinity. According to the results of this study, the interaction between these compounds and crucial residues of the target protein were maintained. These results suggest that these residues are potential drug targeting sites for the SARS-CoV-2 N protein. This study information will contribute to the development of novel compounds for further in vitro and in vivo studies of SARS-CoV-2, as well as possible new drug repurposing strategies to treat COVID-19 disease.
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