Literature DB >> 8473919

Nonlinear dependence in comparative molecular field analysis.

K H Kim1.   

Abstract

The applicability of the comparative molecular field analysis (CoMFA) approach to describe the nonlinear dependence of biological activity on lipophilicity in 3D quantitative structure-activity relationships (QSAR) has been demonstrated. The results indicate that the CoMFA approach is appropriate for describing nonlinear effects in 3D QSAR studies.

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Year:  1993        PMID： 8473919     DOI： 10.1007/bf00141576

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  9 in total

1.  Hydrophobicity and central nervous system agents: on the principle of minimal hydrophobicity in drug design.

Authors:  C Hansch; J P Björkroth; A Leo
Journal:  J Pharm Sci       Date:  1987-09       Impact factor: 3.534

2.  Quantitative structure-activity relationships. IV. Non-linear dependence of biological activity on hydrophobic character: a new model.

Authors:  H Kubinyi
Journal:  Arzneimittelforschung       Date:  1976

3.  Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

Authors:  R D Cramer; D E Patterson; J D Bunce
Journal:  J Am Chem Soc       Date:  1988-08-01       Impact factor: 15.419

Review 4.  Toward a quantitative comparative toxicology of organic compounds.

Authors:  C Hansch; D Kim; A J Leo; E Novellino; C Silipo; A Vittoria
Journal:  Crit Rev Toxicol       Date:  1989       Impact factor: 5.635

Review 5.  Lipophilic character and biological activity of drugs. II. The parabolic case.

Authors:  C Hansch; J M Clayton
Journal:  J Pharm Sci       Date:  1973-01       Impact factor: 3.534

Review 6.  Prediction of pharmacological activity by the method of physicochemical-activity relationships.

Authors:  P J Goodford
Journal:  Adv Pharmacol Chemother       Date:  1973

7.  Quantitative structure--activity relationships. 7. The bilinear model, a new model for nonlinear dependence of biological activity on hydrophobic character.

Authors:  H Kubinyi
Journal:  J Med Chem       Date:  1977-05       Impact factor: 7.446

8.  The use of non-correlated log P and (log P) 2 values in quantitative structure activity relationships.

Authors:  P Berntsson
Journal:  Acta Pharm Suec       Date:  1980

9.  Direct prediction of dissociation constants (pKa's) of clonidine-like imidazolines, 2-substituted imidazoles, and 1-methyl-2-substituted-imidazoles from 3D structures using a comparative molecular field analysis (CoMFA) approach.

Authors:  K H Kim; Y C Martin
Journal:  J Med Chem       Date:  1991-07       Impact factor: 7.446
  9 in total
  5 in total

1.  Receptor-based 3D QSAR analysis of estrogen receptor ligands--merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods.

Authors:  W Sippl
Journal:  J Comput Aided Mol Des       Date:  2000-08       Impact factor: 3.686

2.  Anti-human immunodeficiency virus activities of nucleosides and nucleotides: correlation with molecular electrostatic potential data.

Authors:  T Mickle; V Nair
Journal:  Antimicrob Agents Chemother       Date:  2000-11       Impact factor: 5.191

3.  Use of molecular modeling, docking, and 3D-QSAR studies for the determination of the binding mode of benzofuran-3-yl-(indol-3-yl)maleimides as GSK-3beta inhibitors.

Authors:  Ki Hwan Kim; Irina Gaisina; Franck Gallier; Denise Holzle; Sylvie Y Blond; Andrew Mesecar; Alan P Kozikowski
Journal:  J Mol Model       Date:  2009-05-14       Impact factor: 1.810

4.  Calculation of hydrophobic parameters directly from three-dimensional structures using comparative molecular field analysis.

Authors:  K H Kim
Journal:  J Comput Aided Mol Des       Date:  1995-08       Impact factor: 3.686

5.  DPRESS: Localizing estimates of predictive uncertainty.

Authors:  Robert D Clark
Journal:  J Cheminform       Date:  2009-07-14       Impact factor: 5.514
  5 in total

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