ArticleArchives of medical research2021
Targeting SARS-CoV-2 Main Protease: A Computational Drug Repurposing Study.
Article in Archives of medical research, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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
29 citing papers in PubMed, 74 citations in OpenAlex.
- Network pharmacology and in vitro studies demonstrate modulation of fibrotic pathways by Swertia chirayita in pulmonary fibrosis.Scientific reports · 2025Article
- In vitro antiviral activities of thymol and Limonin against influenza a viruses and SARS-CoV-2.Scientific reports · 2025Article
- From Lab to Clinic: Success Stories of Repurposed Drugs in Treating Major Diseases.Advances in pharmacological and pharmaceutical sciences · 2025Review
- Unveiling the ESR1 Conformational Stability and Screening Potent Inhibitors for Breast Cancer Treatment.Medicinal chemistry (Shariqah (United Arab Emirates)) · 2024Article
- Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices.Molecular diversity · 2023Review
- Computational drug repurposing of Akt-1 allosteric inhibitors for non-small cell lung cancer.Scientific reports · 2023Article
- PhytoestrogenVaccines · 2023Article
- Article
- Innovative, rapid, high-throughput method for drug repurposing in a pandemic-A case study of SARS-CoV-2 and COVID-19.Frontiers in pharmacology · 2023Article
- Human ACE2 orthologous peptide sequences show better binding affinity to SARS-CoV-2 RBD domain: Implications for drug design.Computational and structural biotechnology journal · 2023Article
- In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors fromAdvances and applications in bioinformatics and chemistry : AABC · 2023Article
- In-silico screening and in-vitro assay show the antiviral effect of Indomethacin against SARS-CoV-2.Computers in biology and medicine · 2022Article
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- In Silico Studies on Zinc Oxide Based Nanostructured Oil Carriers with Seed Extracts ofMolecules (Basel, Switzerland) · 2022Article
- Molecular mechanism of inhibition of COVID-19 main protease by β-adrenoceptor agonists and adenosine deaminase inhibitors usingJournal of biomolecular structure & dynamics · 2022Article
- Computer aided identification of potential SARS CoV-2 main protease inhibitors from diterpenoids and biflavonoids ofJournal of biomolecular structure & dynamics · 2022Article
- Target-Based In Silico Screening for Phytoactive Compounds Targeting SARS-CoV-2.Interdisciplinary sciences, computational life sciences · 2022Article
- Optimal COVID-19 therapeutic candidate discovery using the CANDO platform.Frontiers in pharmacology · 2022Article
- Molecular Docking as a Potential Approach in Repurposing Drugs Against COVID-19: a Systematic Review and Novel Pharmacophore Models.Current pharmacology reports · 2022Review
- 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
Corrections and comments
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
BACKGROUND AND
aimsSevere Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) induced Novel Coronavirus Disease (COVID-19) has currently become pandemic worldwide. Though drugs like remdesivir, favipiravir, and dexamethasone found beneficial for COVID-19 management, they have limitations clinically, and vaccine development takes a long time. The researchers have reported key proteins which could act as druggable targets. Among them, the major protease M
methodsThe protein M
resultsThe docking and molecular interactions studies, five drugs emerged as potential hits by forming hydrophilic, hydrophobic, electrostatic interactions. The drugs such as arbutin, terbutaline, barnidipine, tipiracil and aprepitant identified as potential hits. Among the drugs, tipiracil and aprepitant interacted with the M
conclusionsThis study shows the possible exploration for drug repurposing using computer-aided docking tools and the potential roles of tipiracil and aprepitant, which can be explored further in the treatment of COVID-19.
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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.