دورية أكاديمية
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Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease.

التفاصيل البيبلوغرافية
العنوان: Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease.
المؤلفون: Baev DS; N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, 9 Lavrent'iev Avenue, 630090 Novosibirsk, Russia., Blokhin ME; N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, 9 Lavrent'iev Avenue, 630090 Novosibirsk, Russia., Chirkova VY; Department of Physical-Chemistry Biology and Biotechnology, Altay State University, 61 Lenina Avenue, 656049 Barnaul, Russia., Belenkaya SV; State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia., Luzina OA; N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, 9 Lavrent'iev Avenue, 630090 Novosibirsk, Russia., Yarovaya OI; N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, 9 Lavrent'iev Avenue, 630090 Novosibirsk, Russia., Salakhutdinov NF; N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, 9 Lavrent'iev Avenue, 630090 Novosibirsk, Russia., Shcherbakov DN; State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia.
المصدر: Molecules (Basel, Switzerland) [Molecules] 2022 Dec 30; Vol. 28 (1). Date of Electronic Publication: 2022 Dec 30.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basel, Switzerland : MDPI, c1995-
مواضيع طبية MeSH: SARS-CoV-2* , COVID-19*, Humans ; Amides/pharmacology ; Amides/metabolism ; Antiviral Agents/chemistry ; Protease Inhibitors/chemistry ; Molecular Docking Simulation
مستخلص: Although the incidence and mortality of SARS-CoV-2 infection has been declining during the pandemic, the problem related to designing novel antiviral drugs that could effectively resist viruses in the future remains relevant. As part of our continued search for chemical compounds that are capable of exerting an antiviral effect against the SARS-CoV-2 virus, we studied the ability of triterpenic acid amides to inhibit the SARS-CoV-2 main protease. Molecular modeling suggested that the compounds are able to bind to the active site of the main protease via non-covalent interactions. The FRET-based enzyme assay was used to reveal that compounds 1e and 1b can inhibit the SARS-CoV-2 main protease at micromolar concentrations.
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معلومات مُعتمدة: 1021051703312-0-1.4.1 Ministry of Science and Higher Education of the Russian Federation; 075-15-2021-1355 Ministry of Science and Higher Education of the Russian Federation
فهرسة مساهمة: Keywords: FRET; SARS-CoV-2; antiviral; main protease; molecular modeling; triterpene amide
المشرفين على المادة: EC 3.4.22.- (3C-like proteinase, SARS-CoV-2)
0 (Amides)
0 (Antiviral Agents)
0 (Protease Inhibitors)
تواريخ الأحداث: Date Created: 20230108 Date Completed: 20230110 Latest Revision: 20230111
رمز التحديث: 20240628
مُعرف محوري في PubMed: PMC9822074
DOI: 10.3390/molecules28010303
PMID: 36615498
قاعدة البيانات: MEDLINE
الوصف
تدمد:1420-3049
DOI:10.3390/molecules28010303