ArticleSAR and QSAR in environmental research2020
Exploring RdRp-remdesivir interactions to screen RdRp inhibitors for the management of novel coronavirus 2019-nCoV.
Article in SAR and QSAR in environmental research, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
What it found
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Who cites it
8 citing papers in PubMed, 12 citations in OpenAlex.
- Persistence of SARS-CoV-2 RNA Residues in Placenta Tissue Following Maternal COVID-19 Infection During Pregnancy.American journal of reproductive immunology (New York, N.Y. : 1989) · 2026Article
- Review
- SARS-CoV-2 drug resistance and therapeutic approaches.Heliyon · 2025Review
- The RdRp genotyping of SARS-CoV-2 isolated from patients with different clinical spectrum of COVID-19.BMC infectious diseases · 2024Article
- Remdesivir analog as SARS-CoV-2 polymerase inhibitor: virtual screening of a database generated by scaffold replacement.RSC advances · 2022Article
- RdRp (RNA-dependent RNA polymerase): A key target providing anti-virals for the management of various viral diseases.Journal of molecular structure · 2022Review
- Computational methods directed towards drug repurposing for COVID-19: advantages and limitations.RSC advances · 2021Review
- Von Willebrand factor: A key glycoprotein involved in thrombo-inflammatory complications of COVID-19.Chemico-biological interactions · 2021Review
Corrections and comments
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Authors and funding
3 authors at 3 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A novel coronavirus recently identified in Wuhan, China (2019-nCoV) has resulted in an increasing number of patients globally, and has become a highly lethal pathogenic member of the coronavirus family affecting humans. 2019-nCoV has established itself as one of the most threatening pandemics that human beings have faced, and therefore analysis and evaluation of all possible responses against infection is required. One such strategy includes utilizing the knowledge gained from the SARS and MERS outbreaks regarding existing antivirals. Indicating a potential for success, one of the drugs, remdesivir, under repurposing studies, has shown positive results in initial clinical studies. Therefore, in the current work, the authors have attempted to utilize the remdesivir-RdRp complex - RdRp (RNA-dependent RNA polymerase) being the putative target for remdesivir - to screen a library of the already reported RdRp inhibitor database. Further clustering on the basis of structural features and scoring refinement was performed to filter out false positive hits. Finally, molecular dynamics simulation was carried out to validate the identification of hits as RdRp inhibitors against novel coronavirus 2019-nCoV. The results yielded two putative hits which can inhibit RdRp with better potency than remdesivir, subject to further biological evaluation.
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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.