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Virtual screening of approved clinic drugs with main protease (3CL) reveals potential inhibitory effects on SARS-CoV-2.
J Biomol Struct Dyn. 2022 Feb;40(2):685-695. doi: 10.1080/07391102.2020.1817786. Epub 2020 Sep 10.
2
Finding potent inhibitors for COVID-19 main protease (M): an approach using SARS-CoV-3CL protease inhibitors for combating CORONA.
J Biomol Struct Dyn. 2022 Mar;40(4):1534-1545. doi: 10.1080/07391102.2020.1829501. Epub 2020 Oct 8.
3
Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CL.
J Biomol Struct Dyn. 2021 Aug;39(13):4936-4948. doi: 10.1080/07391102.2020.1782768. Epub 2020 Jun 24.
4
Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CL).
J Biomol Struct Dyn. 2021 Sep;39(15):5735-5755. doi: 10.1080/07391102.2020.1792344. Epub 2020 Jul 17.
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Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 integrated computational approach.
J Biomol Struct Dyn. 2021 Apr;39(7):2607-2616. doi: 10.1080/07391102.2020.1751298. Epub 2020 Apr 13.
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Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease.
J Biomol Struct Dyn. 2021 Sep;39(15):5779-5791. doi: 10.1080/07391102.2020.1792989. Epub 2020 Jul 14.
7
Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CL): an screening of alkaloids and terpenoids from African medicinal plants.
J Biomol Struct Dyn. 2021 Jun;39(9):3396-3408. doi: 10.1080/07391102.2020.1764868. Epub 2020 May 18.

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FDA-approved drug repurposing screen identifies inhibitors of SARS-CoV-2 pseudovirus entry.
Front Pharmacol. 2025 Mar 17;16:1537912. doi: 10.3389/fphar.2025.1537912. eCollection 2025.
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A comprehensive review on pharmacologic agents, immunotherapies and supportive therapeutics for COVID-19.
Narra J. 2022 Dec;2(3):e92. doi: 10.52225/narra.v2i3.92. Epub 2022 Dec 8.
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Saquinavir: From HIV to COVID-19 and Cancer Treatment.
Biomolecules. 2022 Jul 5;12(7):944. doi: 10.3390/biom12070944.
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Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.
Chem Rev. 2022 Jul 13;122(13):11287-11368. doi: 10.1021/acs.chemrev.1c00965. Epub 2022 May 20.
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A highly sensitive cell-based luciferase assay for high-throughput automated screening of SARS-CoV-2 nsp5/3CLpro inhibitors.
Antiviral Res. 2022 May;201:105272. doi: 10.1016/j.antiviral.2022.105272. Epub 2022 Mar 9.
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Hybrid Approach Reveals Novel Inhibitors of Multiple SARS-CoV-2 Variants.
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