ArticleJournal of chemical information and modeling2020
Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study.
Article in Journal of chemical information and modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. It is linked to trial NCT04372628 (Trial of Early Therapies During Non-hospitalized Outpatient Window), which is not on this map. Cited by 224 papers, 2 of them syntheses that pooled it.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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.
Trial of Early Therapies During Non-hospitalized Outpatient Window (TREAT NOW) for COVID-19
Who cites it
224 citing papers in PubMed, 2 syntheses or guidelines pooled it.
- A Comprehensive Review of Artificial Intelligence in Prevention and Treatment of COVID-19 Pandemic.Frontiers in genetics · 2022Pooled it
- Computational drug discovery and repurposing for the treatment of COVID-19: A systematic review.Bioorganic chemistry · 2021Pooled it
- Lopinavir/ritonavir for treatment of non-hospitalized patients with COVID-19: a randomized clinical trial.International journal of infectious diseases : IJID : official publication of the International Society for Infectious Diseases · 2023Trial
- Identification and Sensory Characterization of Umami Peptides During Lager Beer Fermentation.Foods (Basel, Switzerland) · 2026Article
- Reviving Old Antibiotics: New Indications and Therapeutic Perspectives-A Review.Pharmaceuticals (Basel, Switzerland) · 2026Review
- Mechanistic insights into the noncovalent inhibition of SARS-CoV-2 PLpro: a multiscale computational study.Journal of computer-aided molecular design · 2026Article
- The Identification and Analysis of Novel Umami Peptides in Lager Beer and Their Multidimensional Effects on the Sensory Attributes of the Beer Body.Foods (Basel, Switzerland) · 2025Article
- A Series of Severe and Critical COVID-19 Cases in Hospitalized, Unvaccinated Children: Clinical Findings and Hospital Care.Epidemiologia (Basel, Switzerland) · 2025Article
- Conformational Dynamics and Binding Interactions of SARS-CoV-2 Spike Protein Variants: Omicron, XBB.1.9.2, and EG.5.Journal of chemical information and modeling · 2025Article
- Review
- Discovery of novel acetylcholinesterase inhibitors through AI-powered structure prediction and high-performance computing-enhanced virtual screening.RSC advances · 2025Article
- Research Progress on the Structure and Function, Immune Escape Mechanism, Antiviral Drug Development Methods, and Clinical Use of SARS-CoV-2 MMolecules (Basel, Switzerland) · 2025Review
- Article
- Herbal Medicines as Complementary Therapy for Managing Complications in COVID-19 Patients with Diabetes Mellitus.Diabetes, metabolic syndrome and obesity : targets and therapy · 2025Review
- Computational andFrontiers in pharmacology · 2025Article
- Repositioning of Antibiotics in the Treatment of Viral Infections.Current microbiology · 2024Review
- Design and Synthesis of Red-Absorbing Fluoran Leuco Dyes Supported by Computational Screening.ACS omega · 2024Article
- In silico analysis of potential inhibitors for breast cancer targeting 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) catalyses.Journal of cellular and molecular medicine · 2024Article
- Computational Drug Design Strategies for Fighting the COVID-19 Pandemic.Advances in experimental medicine and biology · 2024Article
- Potential Drugs in COVID-19 Management.Current medicinal chemistry · 2024Review
164 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
1 author.
Funding
Abstract
The recent outbreak of novel coronavirus disease-19 (COVID-19) calls for and welcomes possible treatment strategies using drugs on the market. It is very efficient to apply computer-aided drug design techniques to quickly identify promising drug repurposing candidates, especially after the detailed 3D structures of key viral proteins are resolved. The virus causing COVID-19 is SARS-CoV-2. Taking advantage of a recently released crystal structure of SARS-CoV-2 main protease in complex with a covalently bonded inhibitor, N3 (Liu et al., 10.2210/pdb6LU7/pdb), I conducted virtual docking screening of approved drugs and drug candidates in clinical trials. For the top docking hits, I then performed molecular dynamics simulations followed by binding free energy calculations using an end point method called MM-PBSA-WSAS (molecular mechanics/Poisson-Boltzmann surface area/weighted solvent-accessible surface area; Wang,
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What OpenQuestion holds
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.