ArticleBiochemistry and biophysics reports2021
Analysis of non-structural proteins, NSPs of SARS-CoV-2 as targets for computational drug designing.
Article in Biochemistry and biophysics reports, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers, 3 of them syntheses that pooled it.
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Who cites it
47 citing papers in PubMed, 3 syntheses or guidelines pooled it, 82 citations in OpenAlex.
- Computational Analysis Reveals Monomethylated Triazolopyrimidine as a Novel Inhibitor of SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp).Molecules (Basel, Switzerland) · 2022Pooled it
- A systematic review assessing the effectiveness of COVID-19 mRNA vaccines in chronic kidney disease (CKD) individuals.F1000Research · 2022Pooled it
- Update on geographical variation and distribution of SARS-nCoV-2: A systematic review.Indian journal of pharmacologyPooled it
- A Comprehensive View on the Mechanisms of Coronavirus Escaping Innate Immunity.Veterinary sciences · 2025Review
- A new strategy for the fermentation of Massa Medicata Fermentata by combining multiple strains of fermentation and their fermentation mechanisms.Biotechnology letters · 2025Article
- Annual SZ: An Alternative Immunotherapy for COVID-19 and Long COVID.Infectious disorders drug targets · 2025Review
- Analysis of phosphomotifs coupled to phosphoproteome and interactome unveils potential human kinase substrate proteins in SARS-CoV-2.Frontiers in cellular and infection microbiology · 2025Article
- An Overview of SARS-CoV-2 Potential Targets, Inhibitors, and Computational Insights to Enrich the Promising Treatment Strategies.Current microbiology · 2024Review
- Ligand- and Structure-Based Virtual Screening Identifies New Inhibitors of the Interaction of the SARS-CoV-2 Spike Protein with the ACE2 Host Receptor.Pharmaceutics · 2024Article
- Detection of SARS-CoV-2 N protein using AgNPs-modified aligned silicon nanowires BioSERS chip.RSC advances · 2024Article
- Structural Landscape of nsp Coding Genomic Regions of SARS-CoV-2-ssRNA Genome: A Structural Genomics Approach Toward Identification of Druggable Genome, Ligand-Binding Pockets, and Structure-Based Druggability.Molecular biotechnology · 2024Article
- Virtual Screening, Toxicity Evaluation and Pharmacokinetics of Erythrina Alkaloids as Acetylcholinesterase Inhibitor Candidates from Natural Products.Advances and applications in bioinformatics and chemistry : AABC · 2024Article
- ACE2 and TMPRSS2 expression in patients before, during, and after SARS-CoV-2 infection.Frontiers in cellular and infection microbiology · 2024Article
- Comparison between Neutralization Capacity of Antibodies Elicited by COVID-19 Natural Infection and Vaccination in Indonesia: A Prospective Cohort.Antibodies (Basel, Switzerland) · 2023Article
- Targeting SARS-CoV-2 Non-Structural Proteins.International journal of molecular sciences · 2023Review
- Immunomodulatory Role of Interferons in Viral and Bacterial Infections.International journal of molecular sciences · 2023Review
- In-silico study: docking simulation and molecular dynamics of peptidomimetic fullerene-based derivatives against SARS-CoV-2 M3 Biotech · 2023Article
- Evaluating the ability of some natural phenolic acids to target the main protease and AAK1 in SARS COV-2.Scientific reports · 2023Article
- Article
- Discovery of 3-phenyl-1,2,4-oxadiazole derivatives as a new class of SARS-CoV-2 main protease inhibitors.Bioorganic & medicinal chemistry letters · 2023Article
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Authors and funding
1 author at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundThe ORF1ab of Severe Acute Respiratory Syndrome, SARS Corona Virus, SARS-CoV-2 genome is processed into 15 non-structural proteins, NSPs by proteases and each NSP has a specific role in the life cycle and pathogenicity of the virus. This research analyzes possible drugs for these proteins as targets in computational drug designing using already available experimental drugs from the drug bank database.
methodsOut of 471 proteins and 8820 drugs download from Protein Data Bank, PDB and Drug Bank database respectively, 16 proteins similar to NSP 1-15 and 31 drugs as per the "Rule of three" were selected for docking. Out of 88 docking results using PyRx, 18 proteins/chains with three promising drugs, DB01977, DB07132 and DB07535 were analyzed using PyMOL for final results.
resultsNSPs 3, 5, 11, 14 and 15 were identified as targets for the drugs, DB01977, BD07132 and DB07535. Drugs, DB01977 and DB07535 bind in the same binding pockets of NSP 5 and NSP 15. Drug, DB07132 binds with more number of residues when compared with the other two drugs and this indicates that the strength of protein-drug association is more by this drug with the NSPs than other drugs. Binding pockets of NSPs for these three drugs are very close with many sharing residues in common suggesting of similarity of pharmacophore of these drugs with the target binding pockets.
conclusionThe binding pockets of NSPs are well matched with the pharmacophore of drugs and with polar surface of drugs less than or equal to 100 A
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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.