Browsing Teses e dissertações by Subject "Docking"
Now showing items 1-4 of 4
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Estudo computacional da enzima gGAPDH do Trypanosoma cruzi
(Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 05/06/2009)Theoretical methods in computational chemistry were used to study the gGAPDH enzyme from Trypanosoma cruzi. This protozoan is responsible by the Chagas diseases. Molecular dynamics simulations were performed to obtain the ... -
Estudos estruturais de compostos de telúrio e de docking em catepsinas B, K, L, S
(Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 28/03/2013)Cathepsins are lysosomal cysteine proteases responsible for protein turnover in our organism. In non-lysosomal environment they are related to a number of diseases such as cancer, Alzheimer, autoimmune diseases and ... -
Telurooxetanas: estudos cristalográficos, modelagem molecular e cálculos de docking para aplicação biológica
(Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 10/02/2009)This work is composed of 4 chapters. In Chapter 1 is a description of the problems addressed here, starting with the characteristics of the protein, its biological and social importance, and the interactions responsible ... -
Identificação assistida por docking molecular de potenciais alvos em Plasmodium falciparum para derivados de indol-3-glioxiltirosina com atividade antimalárica in vitro
(Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, Câmpus São Carlos, 28/07/2020)Malaria, although it is no longer considered a neglected disease, remains a public health problem. In 2018 alone, the World Health Organization estimated 228 million new cases and 405,000 deaths worldwide. Currently, ...