ArticleJournal of biomolecular structure & dynamics2022
Design and synthesis of novel phe-phe hydroxyethylene derivatives as potential coronavirus main protease inhibitors.
Article in Journal of biomolecular structure & dynamics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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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.
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Who cites it
3 citing papers in PubMed.
- Better isolation, proliferation and differentiation of human adipose-derived mesenchymal stem cells using human serum.European journal of translational myology · 2023Article
- A Review on Biomedical Application of Polysaccharide-Based Hydrogels with a Focus on Drug Delivery Systems.Polymers · 2022Review
- The relationship between talent management and the efficiency of head nurses and senior and middle managers from the educational and medical centers in Tabriz, Iran - a case study.Journal of medicine and life · 2022Article
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Authors and funding
7 authors.
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Abstract
In response to the current pandemic caused by the novel SARS-CoV-2, we design new compounds based on Lopinavir structure as an FDA-approved antiviral agent which is currently under more evaluation in clinical trials for COVID-19 patients. This is the first example of the preparation of Lopinavir isosteres from the main core of Lopinavir conducted to various heterocyclic fragments. It is proposed that main protease inhibitors play an important role in the cycle life of coronavirus. Thus, the protease inhibition effect of synthesized compounds was studied by molecular docking method. All of these 10 molecules, showing a good docking score compared. Molecular dynamics (MD) simulations also confirmed the stability of the best-designed compound in Mpro active site.Communicated by Ramaswamy H. Sarma.
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