ArticleJournal of biomolecular structure & dynamics2022
Repurposing drugs and identification of inhibitors of integral proteins (spike protein and main protease) of SARS-CoV-2.
Article in Journal of biomolecular structure & dynamics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
What it found
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
17 citing papers in PubMed, 30 citations in OpenAlex.
- Integrated experimental and computational evaluation of atractylenolide III from Tubipora musica for anticancer lead identification.Scientific reports · 2026Article
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- Anti-Tuberculosis Potential of OJT008 against Active and Multi-Drug-Resistant Mycobacterium Tuberculosis: In Silico and In Vitro Inhibition of Methionine Aminopeptidase.International journal of molecular sciences · 2023Article
- Cheminformatics identification of modulators of key carbohydrate-metabolizing enzymes fromJournal of diabetes and metabolic disorders · 2023Article
- Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices.Molecular diversity · 2023Review
- Inhibitory mechanism of clioquinol and its derivatives at the exopeptidase site of human angiotensin-converting enzyme-2 and receptor binding domain of SARS-CoV-2 viral spike.Journal of biomolecular structure & dynamics · 2023Article
- Cheminformatics Bioprospection of Sunflower Seeds' Oils against Quorum Sensing System ofAntibiotics (Basel, Switzerland) · 2023Article
- Molecular Modeling Identification of Key Secondary Metabolites fromEvidence-based complementary and alternative medicine : eCAM · 2023Article
- Bioprospection of Selected Plant Secondary Metabolites as Modulators of the Proteolytic Activity ofBioMed research international · 2023Article
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- Cheminformatics Bioprospection of Broad Spectrum Plant Secondary Metabolites Targeting the Spike Proteins of Omicron Variant and Wild-Type SARS-CoV-2.Metabolites · 2022Article
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- Molecular modeling identification of potential drug candidates from selected African plants against SARS-CoV-2 key druggable proteins.Scientific African · 2022Article
- Molecular modelling identification of phytocompounds from selected African botanicals as promising therapeutics against druggable human host cell targets of SARS-CoV-2.Journal of molecular graphics & modelling · 2022Article
- Identification of Flavonoid C-Glycosides as Promising Antidiabetics Targeting Protein Tyrosine Phosphatase 1B.Journal of diabetes research · 2022Article
- Phenolics Profiling ofMolecules (Basel, Switzerland) · 2021Article
Corrections and comments
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Authors and funding
4 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The outbreak of Coronavirus infection (COVID-19) has prompted the World Health Organisation (WHO) to declare the outbreak, a Public Health Emergency of International concern. As part of the efforts to discover lead compounds for clinical use, 53 molecules were screened using molecular docking and dynamic simulations (MDS) techniques to identify potential inhibitors of SARS-CoV-2 spike protein (COVID-19 S
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Registered trials
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.