All Outputs (2)

Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles (2018)
Journal Article
Dos Santos, A. M., Cianni, L., De Vita, D., Rosini, F., Leitão, A., Laughton, C. A., …Montanari, C. A. (2018). Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles. Physical Chemistry Chemical Physics, 20(37), 24317-24328. https://doi.org/10.1039/c8cp03320j

Chagas disease affects millions of people in Latin America. This disease is caused by the protozoan parasite Trypanossoma cruzi. The cysteine protease cruzain is a key enzyme for the survival and propagation of this parasite lifecycle. Nitrile-based... Read More about Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles.

In Silico Screening for Solid Dispersions: The Trouble with Solubility Parameters and χFH (2018)
Journal Article
Turpin, E. R., Taresco, V., Al-Hachami, W. A., Booth, J., Treacher, K., Tomasi, S., …Garnett, M. C. (2018). In Silico Screening for Solid Dispersions: The Trouble with Solubility Parameters and χFH. Molecular Pharmaceutics, 15(10), 4654-4667. https://doi.org/10.1021/acs.molpharmaceut.8b00637

© Copyright 2018 American Chemical Society. The problem of predicting small molecule-polymer compatibility is relevant to many areas of chemistry and pharmaceutical science but particularly drug delivery. Computational methods based on Hildebrand and... Read More about In Silico Screening for Solid Dispersions: The Trouble with Solubility Parameters and χFH.