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Bioorg Med Chem Lett ; 53: 128415, 2021 12 01.
Artigo em Inglês | MEDLINE | ID: mdl-34662706

RESUMO

Inflammation and immunity are closely related to the occurrence and development of a variety of immune diseases. Although IL-1ß has been identified as a key cytokine in many immune diseases, safe and specific small molecular IL-1ß releasement inhibitors are still scarce and urgently required in clinic. The investigation prospect of triazoleis limited by its complicated pharmacological effect which exhibited inferior effects on IL-1ß and TNF-α. Herein, 36 novel derivatives were designed and synthesized, and nearly half of the derivatives exhibited much better selectivity on IL-1ß releasement inhibition as well as keep similar inhibitory activities to lead compound. In 20 µM, compound 19 exhibited IL-1ß releasement inhibitory activity (IC50 = 5.489 µM) which closed to the original compound, and 4.5-fold superior selectivity (SI = 4.71) to the lead compound (SI = 0.82). A probable SAR model of triazole derivatives for IL-1ß releasement inhibition and selectivity was also proposed, which might promote the discovery of more effective and specific IL-1ß releasement inhibitors in the future.


Assuntos
Descoberta de Drogas , Interleucina-1beta/antagonistas & inibidores , Triazóis/farmacologia , Relação Dose-Resposta a Droga , Humanos , Interleucina-1beta/imunologia , Estrutura Molecular , Relação Estrutura-Atividade , Triazóis/síntese química , Triazóis/química
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