New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents
Articolo
Data di Pubblicazione:
2019
Citazione:
New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents / L.R. Chiarelli, M. Mori, G. Beretta, A. Gelain, E. Pini, J.C. Sammartino, G. Stelitano, D. Barlocco, L. Costantino, M. Lapillo, G. Poli, I. Caligiuri, F. Rizzolio, M. Bellinzoni, T. Tuccinardi, S. Villa, F. Meneghetti. - In: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY. - ISSN 1475-6366. - 34:1(2019 Dec), pp. 823-828. [10.1080/14756366.2019.1589462]
Abstract:
Starting from the analysis of the hypothetical binding mode of our previous furan-based hit (I), we successfully achieved our objective to replace the nitro moiety, leading to the disclosure of a new lead exhibiting a strong activity against MbtI. Our best candidate 1 h displayed a Ki of 8.8 µM and its antimycobacterial activity (MIC99 = 250 µM) is conceivably related to mycobactin biosynthesis inhibition. These results support the hypothesis that 5-phenylfuran-2-carboxylic derivatives are a promising class of MbtI inhibitors.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
tuberculosis; antimycobacterial agent; drug design; molecular modelling; mycobactins; siderophores
Elenco autori:
L.R. Chiarelli, M. Mori, G. Beretta, A. Gelain, E. Pini, J.C. Sammartino, G. Stelitano, D. Barlocco, L. Costantino, M. Lapillo, G. Poli, I. Caligiuri, F. Rizzolio, M. Bellinzoni, T. Tuccinardi, S. Villa, F. Meneghetti
Link alla scheda completa:
Link al Full Text: