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Structure-Activity Relationship Study By ETM Method On Potent Trypanocidal Thio Semicarbazone Inhibitors Of The Trypanosomal Cysteine Protease Cruzain

Author(s): Fatma Kandemirli | Murat Saracoglu | Ilknur Cavusoglu | Taner Arslan

Journal: Philosophic Nature
ISSN 0974-4215

Volume: 1;
Issue: 2;
Start page: 179;
Date: 2009;
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Keywords: Trypanosoma cruzi | Electron Topological Method | Feed-forward Neural Networks

The structure activity relationship of 101 compounds against Trypanosoma cruzi cysteine protease cruzain wasinvestigated by using Electron Topological Method (ETM). Electronic-Topological Matrices of Conjunction (ETMCs)were formed by using data obtained from molecular mechanics (MMP2) and semi-empirical quantum chemistry(AM1). Pharmacophore features causing activity and anti-pharmacophore ones breaking activity were explained. Thesupervised learning was performed using a variant of FFNN known as the Associative Neural Networks (ASNN).
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