Title : Molecular docking/dynamics studies of Aurora A kinase inhibitors.

Pub. Date : 2008 Jun

PMID : 18096419






1 Functional Relationships(s)
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1 We suggest that the small hydrophobic substituents at C-6 position of pyrrolopyrazole nucleus (in compounds 1-8); C-6 and C-7 positions of the quinazoline moiety (in compounds 9-23); C-2 position of the quinazoline and C-4 position of the pyrimidine (in compound 25) could be more effective and selective through increased hydrophobic contacts and selectivity pocket interactions with these modifications of Aurora A kinase inhibitors. pyrimidine complement C2 Homo sapiens