@article {49355,
	title = {Design, synthesis, anti-inflammatory evaluation and in silico molecular docking of novel furan-based derivatives as potential TNF-α production inhibitors},
	journal = {Letters in Drug Design \& Discovery},
	volume = {21},
	year = {2024},
	month = {JAN},
	pages = {2916-2925},
	type = {Article},
	abstract = {<p>
	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.</p>
},
	keywords = {analgesic, Anti-inflammatory, Furan-based derivatives, Lipid peroxidation, TNF-alpha, ulcerogenic},
	issn = {1570-1808},
	doi = {10.2174/1570180820666230828151523},
	author = {Bhoge, Satish and Singh, Prabal Pratap and Das, Deepak and Ali, Yakub and Dhulap, Abhijeet}
}
