QSAR : Hansch Analysis and Related Approaches
نویسندگان
چکیده
منابع مشابه
Rationalization of Physicochemical and Structural Requirement of Some Substituted 5-(Biphenyl-4-ylmethyl)Pyrazole as Angiotensin II Receptor Antagonist: A QSAR Approach
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 ...
متن کاملPii: S1359-6446(97)01079-9
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...
متن کاملFrom Hansch-Fujita Analysis to AFMoC: A Road to Structure-Based QSAR.
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...
متن کاملQSAR and 3D-QSAR in Drug Design Anti-Tubercular Drug Discovery Studies
The relationships between lipophilicity and unspecific biological properties, such as narcotic, fungicidal, bactericidal, hemolytic and toxiccity properties have been known ever since the turn of the century. Research publications of Free Wilson method [1] and that of Hansch analysis [2] during 1964 served as the milestones in development of quantitative structure-activity relationships (QSAR)....
متن کاملIn tribute to Corwin Hansch, father of QSAR
In this issue of Journal of Computer-Aided Molecular Design we pay tribute to Corwin Hansch, who died on May 8 at the age of 91. Professor Hansch (Corwin to almost everyone, at his insistence) was a giant in our field, the ‘father’ of QSAR, and the vanguard of rational drug design. Thanks to his long-time colleague and coworker, Cynthia Selassie, also of Pomona College, we are, with sadness, pu...
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