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Three-Dimensional Quantitative Structure-Activity Relationship Study of Antitumor 2-Formylpyridine Thiosemicarbazones Derivatives as Inhibitors of Ribonucleotide Reductase
(WILEY-V C H VERLAG GMBH, 2009)
In order to extend previous SAR and QSAR studies, 3D-QSAR analysis has been performed using CoMFA and CoMSIA approaches applied to a set of 39 alpha-(N)-heterocyclic carboxaldehydes thiosemicarbazones with their inhibitory ...
Quantitative structure-activity relationships for a series of inhibitors of cruzain from Trypanosoma cruzi: Molecular modeling, CoMFA and CoMSIA studies
(ELSEVIER SCIENCE INC, 2009)
Human parasitic diseases are the foremost threat to human health and welfare around the world. Trypanosomiasis is a very serious infectious disease against which the currently available drugs are limited and not effective. ...
Structure-activity relationships based on 3D-QSAR CoMFA/CoMSIA and design of aryloxypropanol-amine agonists with selectivity for the human β3-adrenergic receptor and anti-obesity and anti-diabetic profiles
(MDPI AG, 2018)
© 2018 by the authors. The wide tissue distribution of the adrenergic β3 receptor makes it a potential target for the treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder (OAB), and ...
Structure-activity relationships based on 3D-QSAR CoMFA/CoMSIA and design of aryloxypropanol-amine agonists with selectivity for the human 3-adrenergic receptor and anti-obesity and anti-diabetic profiles
(MDPI, 2018)
The wide tissue distribution of the adrenergic 3 receptor makes it a potential target for the treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder (OAB), and cancer. Currently, there ...
CoMFA and CoMSIA 3D QSAR Models for a Series of Cyclic Imides with Analgesic Activity
(BENTHAM SCIENCE PUBL LTD, 2009)
Three-dimensional quantitative structure-activity relationships (3D-QSAR) were performed for a series of analgesic cyclic imides using the CoMFA and CoMSIA methods. Significant correlation coefficients ( CoMFA, r(2) = 0.95 ...
Three-dimensional quantitative structure-activity relationships for a large series of potent antitubercular agents
(BENTHAM SCIENCE PUBL LTD, 2008)
Comparative molecular field analysis (CoMFA) studies were conducted on a series of 100 isoniazid derivatives as anti-tuberculosis agents using two receptor-independent structural data set alignment strategies: (1) rigid-body ...
Comparative molecular field analysis of a series of inhibitors of HIV-1 protease
(BENTHAM SCIENCE PUBL LTD, 2011)
Several protease inhibitors have reached the world market in the last fifteen years, dramatically improving the quality of life and life expectancy of millions of HIV-infected patients. In spite of the tremendous research ...
Two- and three-dimensional quantitative structure-activity relationships studies on a series of liver x receptor ligands
(Bentham OpenBussum, 2008)
Liver X receptor (LXR) is an attractive drug target for the development of novel therapeutic agents for the treatment of dyslipidaemia and cholestasis. In the present work, comparative molecular field analysis (CoMFA) and ...