ArticleInternational journal of antimicrobial agents2020
Computational screening of antagonists against the SARS-CoV-2 (COVID-19) coronavirus by molecular docking.
Article in International journal of antimicrobial agents, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 129 papers, 3 of them syntheses that pooled it.
What it found
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Who cites it
129 citing papers in PubMed, 3 syntheses or guidelines pooled it, 290 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
- Olive Leaves as a Potential Phytotherapy in the Treatment of COVID-19 Disease; A Mini-Review.Frontiers in pharmacology · 2022Pooled it
- Promising Antiviral Activities of Natural Flavonoids against SARS-CoV-2 Targets: Systematic Review.International journal of molecular sciences · 2021Pooled it
- Antimicrobial peptides as computational candidates for SARS-CoV-2 papain-like protease inhibition.Scientific reports · 2026Article
- Computational screening and molecular modeling of probiotic-derived peptides targeting the conserved HR1 domain of SARS-CoV-2 spike protein.Scientific reports · 2025Article
- Anti-Oxidant, Anti-Inflammatory and Antiviral Properties of Luteolin Against SARS-CoV-2: Based on Network Pharmacology.Pharmaceuticals (Basel, Switzerland) · 2025Review
- A new paradigm for drug discovery in the treatment of complex diseases: drug discovery and optimization.Chinese medicine · 2025Review
- Valerenic acid attenuates pathological myocardial hypertrophy by promoting the utilization of multiple substrates in the mitochondrial energy metabolism.Journal of advanced research · 2025Article
- Article
- Effectiveness of dolutegravir in moderate severity COVID-19 patients: A single-center, randomized, double-blind, placebo-controlled trial.BioImpacts : BI · 2025Article
- A multi-omics Mendelian randomization identifies putatively causal genes and DNA methylation sites for asthma.The World Allergy Organization journal · 2024Article
- Target-centric analysis of hepatitis B: identifying key molecules and pathways for treatment.Scientific reports · 2024Article
- Boosting immunity: synergistic antiviral effects of luteolin, vitamin C, magnesium and zinc against SARS-CoV-2 3CLpro.Bioscience reports · 2024Article
- Design and Synthesis of Red-Absorbing Fluoran Leuco Dyes Supported by Computational Screening.ACS omega · 2024Article
- COVID-19-Associated Sepsis: Potential Role of Phytochemicals as Functional Foods and Nutraceuticals.International journal of molecular sciences · 2024Review
- NMRRSC medicinal chemistry · 2024Article
- Article
- Neuroprotective Agents with Therapeutic Potential for COVID-19.Biomolecules · 2023Review
- A study on the effect of natural products against the transmission of B.1.1.529 Omicron.Virology journal · 2023Review
- Studies on the Nonalkaloidal Secondary Metabolites ofACS omega · 2023Article
69 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In the current spread of novel coronavirus (SARS-CoV-2), antiviral drug discovery is of great importance. AutoDock Vina was used to screen potential drugs by molecular docking with the structural protein and non-structural protein sites of new coronavirus. Ribavirin, a common antiviral drug, remdesivir, chloroquine and luteolin were studied. Honeysuckle is generally believed to have antiviral effects in traditional Chinese medicine. In this study, luteolin (the main flavonoid in honeysuckle) was found to bind with a high affinity to the same sites of the main protease of SARS-CoV-2 as the control molecule. Chloroquine has been proved clinically effective and can bind to the main protease; this may be the antiviral mechanism of this drug. The study was restricted to molecular docking without validation by molecular dynamics simulations. Interactions with the main protease may play a key role in fighting against viruses. Luteolin is a potential antiviral molecule worthy of attention.
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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.