Pharmacophore approaches in protein kinase inhibitors design
نویسندگان
چکیده
منابع مشابه
A Pharmacophore Map of Small Molecule Protein Kinase Inhibitors
Protein kinases have emerged as one of the major drug target classes that are amenable to the development of small molecule inhibitors. They share a conserved structural similarity in the region of the ATP binding site, where most inhibitors interact. Using a pharmacophore approach, we have explored the features of protein-ligand interactions for a set of 220 kinase crystal structures from the ...
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The best ZAP-70 inhibitor model consists of four-pharmacophore features, (1) one hydrogen bond acceptor, (2) one hydrogen bond donor (3) one hydrophobic aliphatic and (4) one hydrophobic aromatic features. This model was validated against 110 known ZAP-70 inhibitors with a correlation of 0.902 as well as enrichment factor of 1.61 against a maximum value of 2. This model picked 4094 hits from a ...
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ژورنال
عنوان ژورنال: World Journal of Pharmacology
سال: 2014
ISSN: 2220-3192
DOI: 10.5497/wjp.v3.i4.162