Matias F. Andrada

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The leukotriene A4 hydrolase (LTA4H) is a bifunctional zinc enzyme that catalyzes the final (rate-limiting) step in the synthesis of leukotriene B4 (LTB4), which is involved in several diseases. Many pharmaceutical attempts to exploit the LTA4H/LTB4 pathway have been unsatisfactory, hence, the development of new inhibitory drugs is essential. This paper(More)
A study about the relationship between molecular properties of open-chain enaminones and their anticonvulsant activity is presented in this paper. Geometry optimizations of the enaminones were performed at HF and DFT/B3LYP levels of theory using 6-31 + G(d) basis set. The HOMO and LUMO energies were obtained at the same level of theory. The solvent effect(More)
In this work, we study the structure–activity relationship of a series of Dihydrofolate reductase inhibitors by two-dimensional quantitative activity–structure relationship and three-dimensional quantitative activity–structure relationship techniques. The two-dimensional quantitative activity–structure relationship models were developed by using two(More)
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