Search results for "Guanidine derivatives"

showing 2 items of 2 documents

Application of Molecular Topology to the Prediction of the Reaction Yield and Anticancer Activity of Imidazole and Guanidine Derivatives

2013

In this study molecular topology based QSAR has been applied to predict the reaction yield and anticancer activity of 18 imidazole and guanidine derivatives. Four properties were evaluated, namely reaction yield, anti prostatic-cancer activity, anti breast-cancer activity and anti lung-cancer activity. The four models have been validated by both internal and cross validation, and also by randomness tests. The results obtained are in full agreement with the experimental results and confirm the precision, accuracy and robustness of the method followed. After carrying out a virtual screening upon such models, new imidazole and guanidine derivatives with potential anticancer activity are propos…

chemistry.chemical_compoundVirtual screeningQuantitative structure–activity relationshipchemistryStereochemistryImidazoleMultiple linear regression analysisMolecular topologyCombinatorial chemistryGuanidine derivativesInternational Journal of Chemoinformatics and Chemical Engineering
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Design of guanidinium porphyrins as potential G-quadruplex ligands

2012

We report herein an easy and smooth synthesis of two novel tetra-meso-substituted porphyrins bearing terminal guanidinium functionalities. These two guanidine derivatives are the porphyrin-based analogs of ZnPC , a closely related phthalocyanine-based molecule with four guanidinium arms already reported as an efficient G-quadruplex ligand.

chemistry.chemical_compoundchemistryStereochemistryLigandPhthalocyanineMoleculeGeneral ChemistryG-quadruplexPorphyrinGuanidine derivativesJournal of Porphyrins and Phthalocyanines
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