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ZENODO
Article . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Article . 2025
License: CC BY
Data sources: Datacite
ZENODO
Article . 2025
License: CC BY
Data sources: Datacite
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Computational Design and Anti-Inflammatory Assessment of Novel 1,3,4-Oxadiazole Derivatives

Authors: Rachel Mathew*, V. S. Anjana, S. Nakshathra, R. S. Shahana, A. P. Sona Nair, A. Vaheeda;

Computational Design and Anti-Inflammatory Assessment of Novel 1,3,4-Oxadiazole Derivatives

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.

Keywords

1,3,4-oxadiazole, Imidazole, anti-inflammatory activity, Docking, In-silico design, cox-2, IR,1HNMR, MASS.

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    popularity
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green