Design, synthesis, anti-inflammatory evaluation and in silico molecular docking of novel furan-based derivatives as potential TNF-α production inhibitors
Title | Design, synthesis, anti-inflammatory evaluation and in silico molecular docking of novel furan-based derivatives as potential TNF-α production inhibitors |
Publication Type | Journal Article |
Year of Publication | 2024 |
Authors | Bhoge, S, Singh, PPratap, Das, D, Ali, Y, Dhulap, A |
Journal | Letters in Drug Design & Discovery |
Volume | 21 |
Issue | 14 |
Pagination | 2916-2925 |
Date Published | JAN |
Type of Article | Article |
ISSN | 1570-1808 |
Keywords | analgesic, Anti-inflammatory, Furan-based derivatives, Lipid peroxidation, TNF-alpha, ulcerogenic |
Abstract | Introduction Inflammation is the first response and an alarming signal for the onset of chronic disease. Most of the anti-inflammatory drugs available in the market are reported to have undesirable gastrointestinal toxicities. Therefore, it is of urgent significance to develop anti-inflammatory drugs with low toxicity and good efficacy.Methods We created a targeted scaffold based on a literature review by combining the different structural characteristics of furan and benzyl amides into a single pharmacophore. A series of eighteen furan-based derivatives (1-18) were designed, synthesized for in vitro and in vivo anti-inflammatory activity. The characterization of synthesized compounds was elucidated by techniques like 1H-NMR, 13C-NMR, FT-IR and MS.Results The synthetic compounds were examined through molecular docking studies on TNF-alpha for probable binding mode and interactions with hydrophilic and hydrophobic pocket of TNF-alpha in comparison to standard drug (Indomethacin).Conclusion When compared to the standard treatment, compounds 18, 15 and 9 displayed a remarkable inhibitory effect on the production of TNF-alpha and in vivo inflammatory activity with no damage to stomach and reduction of LPO. The compounds 18, 15 and 9 might be a good consideration for potential anti-inflammatory agents. |
DOI | 10.2174/1570180820666230828151523 |
Type of Journal (Indian or Foreign) | Foreign |
Impact Factor (IF) | 1 |
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