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Identifying the CmbT substrates specificity by using a quantitative structure-activity relationship (QSAR) study
(Elsevier Science BV, Amsterdam, 2014)
The CmbT substrate specificity and its role as a proton motive force-driven drug efflux pump at a molecular level were investigated in the study. In that order, 3D-quantitative structure-activity relationship (3D-QSAR) ...
Design and QSAR study of analogs of gamma-tocotrienol with enhanced anti proliferative activity against human breast cancer cells
(Elsevier Science Inc, New York, 2009)
Quantitative structure-activity relationships (QSAR) study has been performed for two sets of the antitumor drugs against human breast cancer MCF-7 cell lines, alpha-tocopherol and cholesterol derivatives. Constitutional, ...
Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs
(Elsevier Science Inc, New York, 2009)
Twenty-nine drugs of different structures were used in theoretical QSAR analysis of human hepatic microsomal intrinsic clearance (in vitro T(1/2) and in vitro CL(int)') and whole body clearance (CL(blood)). The examined ...
Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study
(Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux, 2013)
Series of twelve chalcone and propafenone derivatives has been synthesized and evaluated for anticancer activities against Hela, Fem-X, PC-3, MCF-7, LS174 and K562 cell lines. The 2D-QSAR and 3D-QSAR studies were performed ...
Prediction of toxicity and data exploratory analysis of estrogen-active endocrine disruptors using counter-propagation artificial neural networks
(Elsevier Science Inc, New York, 2010)
In this work, a novel algorithm for optimization of counter-propagation artificial neural networks has been used for development of quantitative structure-activity relationships model for prediction of the estrogenic ...
Quantitative Structure-Activity Relationships of xanthen-3-one and xanthen-1,8-dione derivatives and design of new compounds with enhanced antiproliferative activity on HeLa cervical cancer cells
(Taylor & Francis, 2021)
Xanthene derivatives have become a group of molecules of great importance in discovering of
new anticancer drugs. Recent studies of our group performed on xanthen-3-one and xanthen-
1,8-dione derivatives have shown their ...
Prediction of drug transfer into human milk from theoretically derived descriptors
(Elsevier Science BV, Amsterdam, 2000)
The goal of this study was to develop a genetic neural network (GNN) model to predict the degree of drug transfer into breast milk, depending on the molecular structure descriptors, and to compare it with the current model. ...
Quantitative structure-activity relationships of alpha(1) adrenergic antagonists
(Springer-Verlag, New York, 2004)
A quantitative structure-activity relationship study with respect to selectivity for alpha(1) adrenoreceptor subtypes (alpha(1a), alpha(1b) and alpha(1d)) of a wide series of structurally heterogeneous alpha(1) adrenoreceptor ...
Design and QSAR study of analogs of alpha-tocopherol with enhanced antiproliferative activity against human breast adenocarcinoma cells
(Elsevier Science Inc, New York, 2008)
Quantitative structure-activity relationships (QSAR) have been established for two sets of the antitumor drugs, a-tocopherol derivatives. Constitutional, geometrical, physico-chemical and electronic descriptors (using the ...