Receptor-based 3D QSAR

SiPPL, W. Receptor-based 3D QSAR analysis of estrogen receptor ligands — merging the accuracy of... 

Kumar A, Siddiqi MI (2010) Receptor based 3D-QSAR to identify putative binders of Mycobacterium tuberculosis Enoyl acyl carrier protein reductase. J Mol Model 16 877-893... 

Receptor-based 3D-QSAR Methods, Bioorg. Med. Chem. 2002, 10, 3741-3755. 

Sippl, W. Receptor-based 3D QSAR analysis of estrogen receptor ligands-merging the accuracy of receptor-based alignments with the computational efficiency of hgand-based methods. J. Comput-Aided Mol. Des. 2000,14,559-572. 

In conclnsion, nsing the receptor-based 3D QSAR strategy Sippl et were able to design potent novel AChE... 

Tuccinardi, T., E. Nuti, G. Ortore, C.T. Supuran, A. Rossello, and A. Martinelli. 2007. Analysis of human carbonic anhydrase 11 Docking reliability and receptor-based 3D-QSAR study. J. Chem. Inf. Model. 47 515-525. 

Oprea, T.l. and Marshall, G.R. Receptor-based prediction of binding affinities. In 3D-QSAR in Drug Design, Kubinyi, H., Folkers, G., and Martin, Y.C. (Eds.). Kluwer/ESCOM, Dordrecht, NL, 1998, 35-61. 

This chapter focuses on computational studies which employ a combination of structure-based and 3D QSAR methods as a mean to predict the affinity of a ligand for its receptor. The comprehensive utility of this approach is exemplified by case studies published in the last few years and from our laboratory. Special emphasis will be placed on a detailed description of the combined structure-ligand-based approach and the successful application of this procedure to the design of novel drug molecules. 

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