دورية أكاديمية
In silico and pharmacological study of N,S-acetal juglone derivatives as inhibitors of the P2X7 receptor-promoted in vitro and in vivo inflammatory response.
| العنوان: | In silico and pharmacological study of N,S-acetal juglone derivatives as inhibitors of the P2X7 receptor-promoted in vitro and in vivo inflammatory response. |
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| المؤلفون: | Pacheco PAF; Department of Organic Chemistry, Institute of Chemistry, Fluminense Federal University, Campus do Valonguinho, Niterói, Rio de Janeiro, Brazil., Faria JV; Laboratory for Evaluation and Promotion of Evaluation and Promotion of Environmental Health, Oswaldo Cruz Institute, Oswaldo Cruz Foundation, Rio de Janeiro, Brazil; Postgraduate Program in Sciences and Biotechnology, Biology Institute, Universidade Federal Fluminense, Niterói, Rio de Janeiro, Brazil., Silva AC; Laboratory for Evaluation and Promotion of Evaluation and Promotion of Environmental Health, Oswaldo Cruz Institute, Oswaldo Cruz Foundation, Rio de Janeiro, Brazil., von Ranke NL; Laboratory of Molecular Modeling and QSAR (ModMolQSAR), Faculty of Pharmacy, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil., Silva RC; Laboratory of Immunophysiology, Biophysics Institute Carlos Chagas Filho, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil., Rodrigues CR; Laboratory of Molecular Modeling and QSAR (ModMolQSAR), Faculty of Pharmacy, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil., da Rocha DR; Department of Organic Chemistry, Institute of Chemistry, Fluminense Federal University, Campus do Valonguinho, Niterói, Rio de Janeiro, Brazil., Faria RX; Laboratory for Evaluation and Promotion of Evaluation and Promotion of Environmental Health, Oswaldo Cruz Institute, Oswaldo Cruz Foundation, Rio de Janeiro, Brazil; Postgraduate Program in Sciences and Biotechnology, Biology Institute, Universidade Federal Fluminense, Niterói, Rio de Janeiro, Brazil. Electronic address: salvador@ioc.fiocruz.br. |
| المصدر: | Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie [Biomed Pharmacother] 2023 Jun; Vol. 162, pp. 114608. Date of Electronic Publication: 2023 Mar 30. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 8213295 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1950-6007 (Electronic) Linking ISSN: 07533322 NLM ISO Abbreviation: Biomed Pharmacother Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: Paris : Editions Scientifiques Elsevier Original Publication: New York, N.Y. : Masson Pub. USA, Inc., c1982- |
| مواضيع طبية MeSH: | Acetals* , Naphthoquinones*, Humans ; Receptors, Purinergic P2X7 ; Adenosine Triphosphate/metabolism |
| مستخلص: | Purinergic receptors are transmembrane proteins responsive to extracellular nucleotides and are expressed by several cell types throughout the human body. Among all identified subtypes, the P2×7 receptor has emerged as a relevant target for the treatment of inflammatory disease. Several clinical trials have been conducted to evaluate the effectiveness of P2×7R antagonists. However, to date, no selective antagonist has reached clinical use. In this work, we report the pharmacological evaluation of eleven N, S-acetal juglone derivatives as P2×7R inhibitors. Using in vitro assays and in vivo experimental models, we identified one derivative with promising inhibitory activity and low toxicity. Our in silico studies indicate that the 1,4-naphthoquinone moiety might be a valuable molecular scaffold for the development of novel P2×7R antagonists, as suggested by our previous studies. Competing Interests: Conflict of interest statement The authors declare that they have no conflict of interest. (Copyright © 2023. Published by Elsevier Masson SAS.) |
| فهرسة مساهمة: | Keywords: ATP; Drug; Inflammation; Naphthoquinone; P2X7R; Purinergic receptors |
| المشرفين على المادة: | W6Q80SK9L6 (juglone) 0 (Acetals) 0 (Receptors, Purinergic P2X7) 0 (Naphthoquinones) 8L70Q75FXE (Adenosine Triphosphate) |
| تواريخ الأحداث: | Date Created: 20230401 Date Completed: 20230503 Latest Revision: 20230503 |
| رمز التحديث: | 20240829 |
| DOI: | 10.1016/j.biopha.2023.114608 |
| PMID: | 37003033 |
| قاعدة البيانات: | MEDLINE |
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Full Text Finder | تدمد: | 1950-6007 |
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| DOI: | 10.1016/j.biopha.2023.114608 |