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“…The proposed binding mode of SKI-606 agrees with a recently published QSAR study (47) and in-house activity measurements 7 on SKI-606 derivatives. Docking studies on an Abl structure, which is very similar to 1M52 but which contains another ligand (2G2H; ref.…”
supporting
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“…The proposed binding mode of SKI-606 agrees with a recently published QSAR study (47) and in-house activity measurements 7 on SKI-606 derivatives. Docking studies on an Abl structure, which is very similar to 1M52 but which contains another ligand (2G2H; ref.…”
supporting
“…On the basis of the bosutinib binding mode to c-ABL and c-SRC, where the 4-methylpiperazine moiety is oriented toward the solvent region, 14,20 the methyl group on the piperazine ring of bosutinib was replaced with a butylamine to form coupleable (c)-bosutinib ( Figure 1a). Peripheral blood mononuclear cells were obtained from two CML patients with accelerated-phase disease upon clinical admission.…”
Section: Resultsmentioning
“…1 further indicates that steric interactions play key role in inhibition of c-Src by these derivatives. Generated model was also compared with steric and electrostatic field contribution of CoMFA amd CoMSIA model reported by Thaimattam et al (2005) and Cao et al (2009) for anilinoquinazoline derivatives. Sterically favorable green contours were found to be concurred with steric descriptors CH 3 /797, CH 3 /642, and CH 3 / 1361.…”
Section: Resultsmentioning