Title : Pharmacophore modeling of nilotinib as an inhibitor of ATP-binding cassette drug transporters and BCR-ABL kinase using a three-dimensional quantitative structure-activity relationship approach.

Pub. Date : 2014 Jul 7

PMID : 24865254






4 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Pharmacophore modeling of nilotinib as an inhibitor of ATP-binding cassette drug transporters and BCR-ABL kinase using a three-dimensional quantitative structure-activity relationship approach. nilotinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens
2 The goal of this study was to identify pharmacophoric features of nilotinib in order to potentially develop specific inhibitors of BCR-ABL kinase with minimal interactions with ABC drug transporters. nilotinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens
3 Three-dimensional pharmacophore modeling and quantitative structure-activity relationship (QSAR) studies were carried out on a series of nilotinib analogues to identify chemical features that contribute to inhibitory activity of nilotinib against BCR-ABL kinase activity, P-gp, and ABCG2. nilotinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens
4 Twenty-five derivatives of nilotinib were synthesized and were then tested to measure their activity to inhibit BCR-ABL kinase and to inhibit the function of ABC drug transporters. nilotinib ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens