ArticleLife sciences2020
Potential inhibitors of the interaction between ACE2 and SARS-CoV-2 (RBD), to develop a drug.
Article in Life sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
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Who cites it
31 citing papers in PubMed, 59 citations in OpenAlex.
- Potential Otubain1 Inhibitor, an Approach for a Treatment against Breast Cancer.International journal of molecular and cellular medicine · 2024Article
- Exploring the disruption of SARS-CoV-2 RBD binding to hACE2.Frontiers in chemistry · 2023Article
- Potential Inhibitors of The OTUB1 Catalytic Site to Develop an Anti-Cancer Drug UsingReports of biochemistry & molecular biology · 2023Article
- Update on Extracellular Vesicle-Based Vaccines and Therapeutics to Combat COVID-19.International journal of molecular sciences · 2022Review
- Inhibition of SARS-CoV-2 pathogenesis by potent peptides designed by the mutation of ACE2 binding region.Computers in biology and medicine · 2022Article
- Isolation and Characterization of Werneria Chromene and Dihydroxyacidissimol from Burkillanthus malaccensis (Ridl.) SwinglePlants (Basel, Switzerland) · 2022Article
- Repurposing dyphylline as a pan-coronavirus antiviral therapy.Future medicinal chemistry · 2022Article
- Potential of the Compounds fromMolecules (Basel, Switzerland) · 2022Article
- Plastic Antibodies Mimicking the ACE2 Receptor for Selective Binding of SARS-CoV-2 Spike.Advanced materials interfaces · 2022Article
- Compound screen identifies the small molecule Q34 as an inhibitor of SARS-CoV-2 infection.iScience · 2022Article
- Drug Repurposing for the Identification of Compounds with Anti-SARS-CoV-2 Capability via Multiple Targets.Pharmaceutics · 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
- Drug repurposing for COVID-19: Approaches, challenges and promising candidates.Pharmacology & therapeutics · 2021Review
- Online bioinformatics teaching practice: Comparison of popular docking programs using SARS-CoV-2 spike RBD-ACE2 complex as a benchmark.Biochemistry and molecular biology education : a bimonthly publication of the International Union of Biochemistry and Molecular Biology · 2021Article
- The Repurposed ACE2 Inhibitors: SARS-CoV-2 Entry Blockers of Covid-19.Topics in current chemistry (Cham) · 2021Review
- A bioluminescent and homogeneous SARS-CoV-2 spike RBD and hACE2 interaction assay for antiviral screening and monitoring patient neutralizing antibody levels.Scientific reports · 2021Article
- Identifying compounds that prevent the binding of the SARS-CoV-2 S-protein to ACE2.Computers in biology and medicine · 2021Article
- A Novel Therapeutic Peptide Blocks SARS-CoV-2 Spike Protein Binding with Host Cell ACE2 Receptor.Drugs in R&D · 2021Article
- Zinc supplementation augments the suppressive effects of repurposed NF-κB inhibitors on ACE2 expression in human lung cell lines.Life sciences · 2021Article
- Molecular basis of the new COVID-19 target neuropilin-1 in complex with SARS-CoV-2 S1 C-end rule peptide and small-molecule antagonists.Journal of molecular liquids · 2021Article
Corrections and comments
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Authors and funding
2 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
aimsThe COVID-19 disease caused by the SARS-CoV-2 has become a pandemic and there are no effective treatments that reduce the contagion. It is urgent to propose new treatment options, which are more effective in the interaction between viruses and cells. In this study was to develop a search for new pharmacological compounds against the angiotensin-converting enzyme 2 (ACE2), to inhibit the interaction with SARS-CoV-2. MATERIALS AND
methodsDocking, virtual screening using almost 500,000 compounds directed to interact in the region between the residues (Gln24, Asp30, His34, Tyr41, Gln42, Met82, Lys353, and Arg357) in ACE2. The average of ΔG KEY
findings20 best compounds directed to interact in ACE2 with a high probability to be safe in humans, validated by web servers of prediction of ADME and toxicity (ProTox-II and PreADMET), to difficult the interaction between ACE2 and region binding domain (RBD) of SARS-CoV-2. SIGNIFICANCE: In this study, 20 compounds were determined by docking focused on the region of interaction between ACE2 and RBD of SARS-CoV-2 was carried out. The compounds are publicly available to validate the effect in in vitro tests.
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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.