article · New Journal of Chemistry

Synthesis and multiscale computational analysis of 6-nitrobenzoxazole-2-thione: electronic structure, intermolecular interactions, and predicted protease inhibition

Said Jebbari
Mohammed Riad Fouad
H. I. Salim
Marwa Alaqarbeh
Ali Ben Ahmed
M. Omari
Abdessamad Tounsi
Mohamed Anouar Harrad

2026Université Sultan Moulay Slimane

In plain language

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Abstract

Nitro-substituted benzoxazole-2-thione derivatives constitute an underexplored class of heteroaromatic systems with promising pharmacological potential.

Research topics

Synthesis and biological activity
Chemical Reaction Mechanisms
Synthesis and Reactivity of Heterocycles

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DOI: 10.1039/d6nj00979d

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