دورية أكاديمية
Development of Orally Active Anti-Inflammatory Agents: In Vivo and In Silico Analysis of Naphthalene-Chalcone Derivatives Based on 2-Acetyl-6-Methoxy Naphthalene
| العنوان: | Development of Orally Active Anti-Inflammatory Agents: In Vivo and In Silico Analysis of Naphthalene-Chalcone Derivatives Based on 2-Acetyl-6-Methoxy Naphthalene |
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| المؤلفون: | D Vasudha, A Jagadeesh, Sathish Kumar Konidala, Haya Yasin, Suraj N. Mali, Richie R. Bhandare, Afzal B. Shaik |
| المصدر: | Chemical Physics Impact, Vol 8, Iss , Pp 100472- (2024) |
| بيانات النشر: | Elsevier, 2024. |
| سنة النشر: | 2024 |
| المجموعة: | LCC:Physics LCC:Chemistry |
| مصطلحات موضوعية: | Chalcones, Anti-inflammatory properties, ADME analyses, Molecular docking, COX-1 and 2, Physics, QC1-999, Chemistry, QD1-999 |
| الوصف: | Chalcone compounds are reported to have diverse biological activities such as antiviral, antimicrobial, antimalarial, antitumor, antifungal, anticancer, and so forth. Herewith, we wish to report the in-vivo anti-inflammatory activities of previously synthesized naphthalene-chalcone hybrids from 2-Acetyl-6-Methoxy Naphthalene derivatives (C1-C25). All synthesized chalcones (C1-C25) were thoroughly characterized with standard spectroscopic techniques and tested for their in-vivo anti-inflammatory activities. The currently employed in-silico docking methodology uses the ‘Molegro Virtual Docker’ as a docking tool and target proteins as COX-1 (PDB ID: 1EQH) and COX-2 (PDB ID: 1PXX). Molecular docking analysis of chalcones (C1-C25) suggested that compound C-24 exhibited best docking score of -117.495 kcal/mol than the standard flurbiprofen -115.259 kcal/mol on COX-1 target. To understand more about pharmacokinetics aspects, we predicted theoretical ADME properties using ‘QikProp, 2022’ and found that all compounds were exhibited acceptable pharmacokinetic properties. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2667-0224 |
| Relation: | http://www.sciencedirect.com/science/article/pii/S2667022424000161; https://doaj.org/toc/2667-0224 |
| DOI: | 10.1016/j.chphi.2024.100472 |
| URL الوصول: | https://doaj.org/article/1f9d5ff35be54864abc7254d7588bf3e |
| رقم الأكسشن: | edsdoj.1f9d5ff35be54864abc7254d7588bf3e |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 26670224 |
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| DOI: | 10.1016/j.chphi.2024.100472 |