Literature DB >> 12369993

A comparison of methods for pharmacophore generation with the catalyst software and their use for 3D-QSAR: application to a set of 4-aminopyridine thrombin inhibitors.

P A Greenidge1, J Weiser.   

Abstract

The method of structure-based pharmacophores for use in 3D-QSAR as implemented by Gillner and Greenidge is further examined. Conformational models are generated using both Catalyst and Macromodel. K(i) estimates obtained with the pharmacophore models are compared with observed values for a set of 4-aminopyridine thrombin inhibitors.

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Year:  2001        PMID： 12369993     DOI： 10.2174/1389557013407223

Source DB:  PubMed          Journal:  Mini Rev Med Chem        ISSN： 1389-5575            Impact factor:   3.862


  2 in total

1.  Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: generation of predictive pharmacophore model using catalyst.

Authors:  Madhu Chopra; Ruby Gupta; Swati Gupta; Daman Saluja
Journal:  J Mol Model       Date:  2008-07-30       Impact factor: 1.810

2.  In silico identification of novel lead compounds with AT1 receptor antagonist activity: successful application of chemical database screening protocol.

Authors:  Mahima Pal; Sarvesh Paliwal
Journal:  Org Med Chem Lett       Date:  2012-03-01
  2 in total

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