Literature DB >> 1831506

Comparative molecular field analysis of some clodronic acid esters.

J P Björkroth1, T A Pakkanen, J Lindroos, E Pohjala, H Hanhijärvi, L Laurén, R Hannuniemi, A Juhakoski, K Kippo, T Kleimola.   

Abstract

Comparative molecular field analysis (CoMFA) has been used as a three-dimensional quantitative structure-activity relationship (QSAR) method to correlate three different types of biological activity data with physicochemical properties of some clodronate ester analogues, which act as bone-resorption regulators in cell cultures and rats. The QSAR studies show the importance of the steric properties of these new bisphosphonate derivatives for the inhibition of bone resorption in bone cell cultures and for their bioavailability in rats. This information will be used in predicting the structure of new more potent bisphosphonic compounds.

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Year:  1991        PMID： 1831506     DOI： 10.1021/jm00112a004

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


  4 in total

1.  QSAR of conformationally flexible molecules: comparative molecular field analysis of protein-tyrosine kinase inhibitors.

Authors:  M C Nicklaus; G W Milne; T R Burke
Journal:  J Comput Aided Mol Des       Date:  1992-10       Impact factor: 3.686

2.  Use of the hydrogen bond potential function in a comparative molecular field analysis (CoMFA) on a set of benzodiazepines.

Authors:  K H Kim; G Greco; E Novellino; C Silipo; A Vittoria
Journal:  J Comput Aided Mol Des       Date:  1993-06       Impact factor: 3.686

Review 3.  Prodrugs of pyrophosphates and bisphosphonates: disguising phosphorus oxyanions.

Authors:  Emma S Rudge; Alex H Y Chan; Finian J Leeper
Journal:  RSC Med Chem       Date:  2022-03-01

4.  Conformational analysis, molecular modeling, and quantitative structure-activity relationship studies of agents for the inhibition of astrocytic chloride transport.

Authors:  C L Waller; S D Wyrick; W E Kemp; H M Park; F T Smith
Journal:  Pharm Res       Date:  1994-01       Impact factor: 4.200
  4 in total

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