Computational Design and Anti-Inflammatory Assessment of Novel 1,3,4-Oxadiazole Derivatives
Year: 2025
Type: article
Abstract: Inflammatory diseases are widespread and affect millions of people worldwide. Current treatments of inflammatory diseases have limited efficacy and significant side effects. So an attempt is to be made to explore the anti-inflammatory activity of 1,3,4-oxadiazole. A novel series of 1,3,4-oxadiazole derivatives bearing imidazole moiety were designed using ACD Lab/ Chemsketch 12.0 and their properties were predicted using the Molinspiration software and they obeyed the Lipinski rule of five. The designed derivatives showing optimal physicochemical properties were selected for docking studies Docking studies of these compounds were performed on cox-2 (5IKQ) using Auto Dock Vina. The result obtained from the docking study revealed that compounds a35, a36, a26 showed good activities on cox-2. Overall, the study concluded that 1,3,4-oxadiazole derivatives bearing imidazole moiety could be considered as promising for the development of novel anti-inflammatory agents.
Author: Rachel Mathew*, V. S. Anjana, S. Nakshathra, R. S. Shahana, A. P. Sona Nair, A. Vaheeda
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6912115369
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