Literature DB >> 12110313

QSAR studies on biological activity of piritrexim analogues against pc DHFR.

Vijay K Agrawal1, Rashmi Sohgaura, Padmakar V Khadikar.   

Abstract

Quantitative structure-activity relationship (QSAR) studies for 2,6-substituted 2,4-diaminopyrido[3,2-d] pyrimidine analogues of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) are now made using topological indices. The results have shown that best models are obtained by multiparametric analysis. The predictive potential of the model is discussed on the basis of a cross-validation method.

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Year:  2002        PMID: 12110313     DOI: 10.1016/s0968-0896(02)00159-1

Source DB:  PubMed          Journal:  Bioorg Med Chem        ISSN: 0968-0896            Impact factor:   3.641


  4 in total

1.  Modeling the inhibition of quadruple mutant Plasmodium falciparum dihydrofolate reductase by pyrimethamine derivatives.

Authors:  Gary B Fogel; Mars Cheung; Eric Pittman; David Hecht
Journal:  J Comput Aided Mol Des       Date:  2007-12-11       Impact factor: 3.686

2.  QSAR study of C allosteric binding site of HCV NS5B polymerase inhibitors by support vector machine.

Authors:  Eslam Pourbasheer; Siavash Riahi; Mohammad Reza Ganjali; Parviz Norouzi
Journal:  Mol Divers       Date:  2010-10-08       Impact factor: 2.943

3.  QSAR models for CXCR2 receptor antagonists based on the genetic algorithm for data preprocessing prior to application of the PLS linear regression method and design of the new compounds using in silico virtual screening.

Authors:  Tahereh Asadollahi; Shayessteh Dadfarnia; Ali Mohammad Haji Shabani; Jahan B Ghasemi; Maryam Sarkhosh
Journal:  Molecules       Date:  2011-02-25       Impact factor: 4.411

4.  3D-QSAR modelling dataset of bioflavonoids for predicting the potential modulatory effect on P-glycoprotein activity.

Authors:  Pathomwat Wongrattanakamon; Vannajan Sanghiran Lee; Piyarat Nimmanpipug; Supat Jiranusornkul
Journal:  Data Brief       Date:  2016-08-04
  4 in total

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