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 K i of 8.8 µM and its antimycobacterial activity (MIC 99 = 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.
New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents / Chiarelli, L. R.; Mori, M.; Beretta, G.; Gelain, A.; Pini, E.; Sammartino, J. C.; Stelitano, G.; Barlocco, D.; Costantino, L.; Lapillo, M.; Poli, G.; Caligiuri, I.; Rizzolio, F.; Bellinzoni, M.; Tuccinardi, T.; Villa, S.; Meneghetti, F.. - In: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY. - ISSN 1475-6366. - 34:1(2019), pp. 823-828. [10.1080/14756366.2019.1589462]
New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents
Costantino L.;Poli G.;Villa S.;
2019
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 K i of 8.8 µM and its antimycobacterial activity (MIC 99 = 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.
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