A series of angiotensin II (A II) receptor antagonist of some substituted 5-(biphenyl-4-ylmethyl) pyrazole were subjected to QSAR analysis using Hansch and Fujita-Ban model, by using combination of thermodynamic, electronic, spatial descriptor and presence or absence of substituent respectively. Several QSAR model were obtained using stepwise regression analysis. Two models from both the ...

Since the pioneering effort of Hansch and Fujita, quantitative structure-activity relationships (QSAR) have proved valuable in optimizing lead structures. Enriching classical 3D-QSAR analysis, which exploits the three-dimensional structure of ligands, with structural information of the target has helped to improve the interpretability of the derived models and to increase their predictive power...

Q uantitative structure-activity relationships (QSAR) correlate, within congeneric series of compounds, affinities of ligands to their binding sites, inhibition constants, rate constants, and other biological activities, either with certain structural features (Free Wilson analysis) or with atomic, group or molecular properties, such as lipophilicity, polarizability, electronic and steric prope...

Quantification of periarticular demineralization in rheumatoid arthritis by digital X-ray radiogrammetry (DXR) and peripheral quantitative computed tomography (pQCT) D.M. Renz, A. Pfeil, A. Hansch, G. Wolf , J. Böttcher Charité University Medicine Berlin, Department of Radiology, Berlin, Germany Friedrich-Schiller-University Jena, Department of Internal Medicine III, Jena, Germany Friedrich-Sch...

A series of 1,3,5-alkylsubstituted cyclohexylamines 2 were synthesized as ligands for the N-methyl-D-aspartate (NMDA) receptor phencyclidine (PCP) binding site. Pure diastereomers with defined configuration of amino group 2-ax and 2-eq were obtained. The optimal size of 1,3,5-substituents was determined for cyclohexylamines 2 with an equatorial amino group in the lowest energy conformation usin...