- Conformational Analysis and Binding Properties of a Cavity Containing Porphyrin Catalyst Provided with Urea Functions
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Urea-functionalized porphyrin catalysts containing a cavity, which are used for the processive epoxidation of polymers, are thoroughly characterized and their binding properties and other supramolecular features disclosed. Intramolecular coordination of the urea side chains to the metal center of the porphyrin moiety is unveiled through NMR, IR, UV, and fluorescence spectroscopy studies. This intramolecular coordination appears to be essential in order to facilitate catalysis in a pseudo-rotaxane fashion, i.e. by preventing the use of an excess of bulky axial ligands. The current investigation provides information on how to modulate in a dynamic fashion the catalytic activity of supramolecular systems, which is of interest for the design of increasingly efficient processive catalysts.
- Hidalgo Ramos, Pilar,Saisaha, Pattama,Elemans, Johannes A. A. W.,Rowan, Alan E.,Nolte, Roeland J. M.
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- Design, synthesis and structure-activity relationships of new triazole derivatives containing N-substituted phenoxypropylamino side chains
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The incidence of invasive fungal infections and resistance to antifungal agents is increasing dramatically. It is highly desirable to develop novel azoles with improved biological profiles. The structure-activity relationship (SAR) of the N-substitutions was investigated in this study. In vitro antifungal activities revealed that sterically large groups were not favored for the N-substitutions. The removal of the N-substitutions had little effect on the antifungal activity. Two compounds with free amine group (i.e. 9a and 10a) showed excellent activity with broad antifungal spectrum. The SAR results were supported by molecular docking and the N-substitutions were found to be important for the conformation of the side chains. The SAR and binding mode of the azoles are useful for further lead optimization.
- Wang, Shengzheng,Jin, Gang,Wang, Wenya,Zhu, Lingjian,Zhang, Yongqiang,Dong, Guoqiang,Liu, Yang,Zhuang, Chunlin,Miao, Zhenyuan,Yao, Jianzhong,Zhang, Wannian,Sheng, Chunquan
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p. 292 - 299
(2012/08/07)
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- Inhibitors of protein tyrosine phosphatase
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The present invention comprises small molecular weight, non-peptidic inhibitors of formulae I-VII of Protein Tyrosine Phosphatase 1 (PTP1) which are useful for the treatment and/or prevention of Non-Insulin Dependent Diabetes Mellitus (NIDDM).
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