3 documents found, page 1 of 1
Breakthroughs in medicinal chemistry: New targets and mechanisms, new drugs, ne...
Vanden Eynde, JJ; Mangoni, AA; Rautio, J; Leprince, J; Azuma, YT; García-Sosa, AT; Hulme, C; Jampilek, J; Karaman, R; Li, W; Gomes, PAC
The Bsmoc group as a novel scaffold for the design of irreversible inhibitors o...
Iley, J; Moreira, R; Martins, L; Guedes, RC; Soares, CMCarbamate and ester derivatives of the 1,1-dioxobenzo[b]thiophen-2-ylmethyloxycarbonyl (Bsmoc) scaffold react readily with thiols via a Michael addition at rates not significantly affected by the nature of the carboxylic or carbamic acid leaving group. These Michael acceptors are irreversible inhibitors of the cysteine proteases papain and human liver cathepsin B, displaying first-order kinetics with respect to...
Theoretical characterization of aflatoxins and their phototoxic reactions
Guedes, RC; Eriksson, LAKey molecular properties are calculated for the 8 most common aflatoxins at the B3LYP/6-31 + G(d,p) level. Special attention is given the possibility of aflatoxins to generate reactive oxygen species (ROS). It is concluded that the excited triplet states of the aflatoxins have properties that make them very potent ROS generators, in addition to direct photoinduced addition reactions. The elevated toxicity of af...