SynthesisBioorganic chemistry2021
Computational drug discovery and repurposing for the treatment of COVID-19: A systematic review.
Synthesis in Bioorganic chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 74 papers, 4 of them syntheses that pooled it.
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
74 citing papers in PubMed, 4 syntheses or guidelines pooled it, 169 citations in OpenAlex.
- Psychotropic drug repurposing for COVID-19: A Systematic Review and Meta-Analysis.European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology · 2023Pooled it
- Drug repositioning: Progress and challenges in drug discovery for various diseases.European journal of medicinal chemistry · 2022Pooled it
- A systematic review of pregnant women with COVID-19 and their neonates.Archives of gynecology and obstetrics · 2021Pooled it
- Clinical efficacy of Azithromycin for COVID-19 management: A systematic meta-analysis of meta-analyses.Heart & lung : the journal of critical carePooled it
- Drug repurposing against viral infections (2020-2025): clinical trials, computational strategies, and therapeutic interventions.Inflammopharmacology · 2026Review
- SMPR: a structure-enhanced multimodal drug‒disease prediction model for drug repositioning and cold start.Journal of cheminformatics · 2025Article
- Empowering Graph Neural Network-Based Computational Drug Repositioning with Large Language Model-Inferred Knowledge Representation.Interdisciplinary sciences, computational life sciences · 2025Article
- MRDDA: a multi-relational graph neural network for drug-disease association prediction.Journal of translational medicine · 2025Article
- Exploiting the chikungunya virus capsid protein: a focused target for antiviral therapeutic development.Archives of virology · 2025Review
- Effectiveness of dolutegravir in moderate severity COVID-19 patients: A single-center, randomized, double-blind, placebo-controlled trial.BioImpacts : BI · 2025Article
- A questionnaire-based survey on the epidemiological and clinical characteristics of SARS-CoV-2 infection in patients with chronic HBV infection and HIV infection.Frontiers in public health · 2025Article
- Drug repositioning based on residual attention network and free multiscale adversarial training.BMC bioinformatics · 2024Article
- High fat, high sucrose diet promotes increased expression of ACE2 receptor in the SIV-infected host: implications for SARS-CoV-2 infection.Frontiers in nutrition · 2024Article
- Global Challenges After a Global Challenge: Lessons Learned from the COVID-19 Pandemic.Advances in experimental medicine and biology · 2024Article
- Mental Healthcare in Pediatrics During the COVID-19 Pandemic: A Call for International Public Health Action.Advances in experimental medicine and biology · 2024Review
- A Multifaceted Computational Approach to Understanding the MERS-CoV Main Protease and Brown Algae Compounds' Interaction.Marine drugs · 2023Article
- GAABind: a geometry-aware attention-based network for accurate protein-ligand binding pose and binding affinity prediction.Briefings in bioinformatics · 2023Article
- Indole-Based Compounds as Potential Drug Candidates for SARS-CoV-2.Molecules (Basel, Switzerland) · 2023Review
- Computer Analysis of the Inhibition of ACE2 by Flavonoids and Identification of Their Potential Antiviral Pharmacophore Site.Molecules (Basel, Switzerland) · 2023Article
- Development of FRET and Stress Granule Dual-Based System to Screen for Viral 3C Protease Inhibitors.Molecules (Basel, Switzerland) · 2023Article
14 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundSince the beginning of the novel coronavirus (SARS-CoV-2) disease outbreak, there has been an increasing interest in finding a potential therapeutic agent for the disease. Considering the matter of time, the computational methods of drug repurposing offer the best chance of selecting one drug from a list of approved drugs for the life-threatening condition of COVID-19. The present systematic review aims to provide an overview of studies that have used computational methods for drug repurposing in COVID-19.
methodsWe undertook a systematic search in five databases and included original articles in English that applied computational methods for drug repurposing in COVID-19.
resultsTwenty-one original articles utilizing computational drug methods for COVID-19 drug repurposing were included in the systematic review. Regarding the quality of eligible studies, high-quality items including the use of two or more approved drug databases, analysis of molecular dynamic simulation, multi-target assessment, the use of crystal structure for the generation of the target sequence, and the use of AutoDock Vina combined with other docking tools occurred in about 52%, 38%, 24%, 48%, and 19% of included studies. Studies included repurposed drugs mainly against non-structural proteins of SARS-CoV2: the main 3C-like protease (Lopinavir, Ritonavir, Indinavir, Atazanavir, Nelfinavir, and Clocortolone), RNA-dependent RNA polymerase (Remdesivir and Ribavirin), and the papain-like protease (Mycophenolic acid, Telaprevir, Boceprevir, Grazoprevir, Darunavir, Chloroquine, and Formoterol). The review revealed the best-documented multi-target drugs repurposed by computational methods for COVID-19 therapy as follows: antiviral drugs commonly used to treat AIDS/HIV (Atazanavir, Efavirenz, and Dolutegravir Ritonavir, Raltegravir, and Darunavir, Lopinavir, Saquinavir, Nelfinavir, and Indinavir), HCV (Grazoprevir, Lomibuvir, Asunaprevir, Ribavirin, and Simeprevir), HBV (Entecavir), HSV (Penciclovir), CMV (Ganciclovir), and Ebola (Remdesivir), anticoagulant drug (Dabigatran), and an antifungal drug (Itraconazole).
conclusionsThe present systematic review provides a list of existing drugs that have the potential to influence SARS-CoV2 through different mechanisms of action. For the majority of these drugs, direct clinical evidence on their efficacy for the treatment of COVID-19 is lacking. Future clinical studies examining these drugs might come to conclude, which can be more useful to inhibit COVID-19 progression.
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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.