دورية أكاديمية
أعرض في EDS

Exploring of N-phthalimide-linked 1,2,3-triazole analogues with promising -anti-SARS-CoV-2 activity: synthesis, biological screening, and molecular modelling studies.

التفاصيل البيبلوغرافية
العنوان: Exploring of N-phthalimide-linked 1,2,3-triazole analogues with promising -anti-SARS-CoV-2 activity: synthesis, biological screening, and molecular modelling studies.
المؤلفون: Aljuhani A; Chemistry Department, College of Sciences, Taibah University, Saudi Arabia., Alsehli M; Chemistry Department, College of Sciences, Taibah University, Saudi Arabia., Seleem MA; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Nasr, City, Cairo, Egypt., Alraqa SY; Chemistry Department, College of Sciences, Taibah University, Saudi Arabia., Ahmed HEA; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Nasr, City, Cairo, Egypt., Rezki N; Chemistry Department, College of Sciences, Taibah University, Saudi Arabia., Aouad MR; Chemistry Department, College of Sciences, Taibah University, Saudi Arabia.
المصدر: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2024 Dec; Vol. 39 (1), pp. 2351861. Date of Electronic Publication: 2024 Jun 07.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Taylor & Francis Country of Publication: England NLM ID: 101150203 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1475-6374 (Electronic) Linking ISSN: 14756366 NLM ISO Abbreviation: J Enzyme Inhib Med Chem Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basingstoke, UK : Taylor & Francis, c2002-
مواضيع طبية MeSH: Triazoles*/chemistry , Triazoles*/pharmacology , Triazoles*/chemical synthesis , Phthalimides*/chemistry , Phthalimides*/pharmacology , Phthalimides*/chemical synthesis , Antiviral Agents*/pharmacology , Antiviral Agents*/chemistry , Antiviral Agents*/chemical synthesis , SARS-CoV-2*/drug effects , Molecular Docking Simulation*, Vero Cells ; Chlorocebus aethiops ; Animals ; Microbial Sensitivity Tests ; Structure-Activity Relationship ; Molecular Structure ; Humans ; Dose-Response Relationship, Drug ; Coronavirus 3C Proteases/antagonists & inhibitors ; Coronavirus 3C Proteases/metabolism ; Models, Molecular
مستخلص: In this study, a library of phthalimide Schiff base linked to 1,4-disubstituted-1,2,3-triazoles was designed, synthesised, and characterised by different spectral analyses. All analogues have been introduced for in vitro assay of their antiviral activity against COVID-19 virus using Vero cell as incubator with different concentrations. The data revealed most of these derivatives showed potent cellular anti-COVID-19 activity and prevent viral growth by more than 90% at two different concentrations with no or weak cytotoxic effect on Vero cells. Furthermore, in vitro assay was done against this enzyme for all analogues and the results showed two of them have IC50 data by 90 µM inhibitory activity. An extensive molecular docking simulation was run to analyse their antiviral mechanism that found the proper non-covalent interaction within the Mpro protease enzyme. Finally, we profiled two reversible inhibitors, COOH and F substituted analogues that might be promising drug candidates for further development have been discovered.
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فهرسة مساهمة: Keywords: 123-Triazole; COVID-19; Schiff bases; molecular docking; phtalamide
المشرفين على المادة: 0 (Triazoles)
0 (Phthalimides)
0 (Antiviral Agents)
1J6PQ7YI80 (phthalimide)
EC 3.4.22.28 (Coronavirus 3C Proteases)
تواريخ الأحداث: Date Created: 20240607 Date Completed: 20240607 Latest Revision: 20240612
رمز التحديث: 20240612
مُعرف محوري في PubMed: PMC11164105
DOI: 10.1080/14756366.2024.2351861
PMID: 38847308
قاعدة البيانات: MEDLINE
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