ArticleJournal of molecular structure2021
Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors.
Article in Journal of molecular structure, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
What it found
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Who cites it
22 citing papers in PubMed, 59 citations in OpenAlex.
- Repurposing HIV Protease Inhibitors against West Nile Virus: Insights from Molecular Docking and Molecular Dynamics Simulations.ACS physical chemistry Au · 2026Article
- Phytochemical Screening and Computational Insights into VP26 Inhibitors for Mitigating White Spot Syndrome Virus in Shrimp Aquaculture.Molecular biotechnology · 2026Article
- Generation of SARS-CoV-2 dual-target candidate inhibitors through 3D equivariant conditional generative neural networks.Journal of pharmaceutical analysis · 2025Article
- CdPhysiology and molecular biology of plants : an international journal of functional plant biology · 2025Article
- Repurposing of Compounds fromCurrent computer-aided drug design · 2025Article
- Article
- Breaking the Chain: Protease Inhibitors as Game Changers in Respiratory Viruses Management.International journal of molecular sciences · 2024Review
- Article
- Identification of novel drug targets forFrontiers in bioinformatics · 2024Article
- Article
- Self-Assembled Maslinic Acid Attenuates Doxorobucin Induced Cytotoxicity via Nrf2 Signaling Pathway: An In Vitro and In Silico Study in Human Healthy Cells.Cell biochemistry and biophysics · 2022Article
- Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices.Journal of chemical information and modeling · 2022Article
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review.Journal of molecular liquids · 2022Review
- Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid.Bioinformation · 2022Article
- Synthesis, crystal structure, computational study and anti-virus effect of mixed ligand copper (II) complex with ONS donor Schiff base and 1, 10-phenanthroline.Journal of molecular structure · 2021Article
- Computational Simulation of HIV Protease Inhibitors to the Main Protease (Mpro) of SARS-CoV-2: Implications for COVID-19 Drugs Design.Molecules (Basel, Switzerland) · 2021Article
- Identifying compounds that prevent the binding of the SARS-CoV-2 S-protein to ACE2.Computers in biology and medicine · 2021Article
- In silico approach for identifying natural lead molecules against SARS-COV-2.Journal of molecular graphics & modelling · 2021Article
- New Approaches and Repurposed Antiviral Drugs for the Treatment of the SARS-CoV-2 Infection.Pharmaceuticals (Basel, Switzerland) · 2021Review
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The
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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.