【摘 要】
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Objective: Mer kinase is a novel therapeutic target for many cancers.Abnormal activation or overexpression of Mer receptor tyrosine kinase has been implicated in survival signaling and chemoresistance
【机 构】
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The Affiliated Hospital of Medical College Qingdao University, Department of Oncology,Qingdao Univer
【出 处】
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第十七届全国临床肿瘤学大会暨2014年CSCO学术年会
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Objective: Mer kinase is a novel therapeutic target for many cancers.Abnormal activation or overexpression of Mer receptor tyrosine kinase has been implicated in survival signaling and chemoresistance in several kinds of tumors.To deeply understand the structure-activity correlation of some pyridine/pyrimidine analogues as potent Mer inhibitors.Method: A combined molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) modeling was carried out.Result:The reasonable q2 (cross-validated) values of 0.599 and non-cross-validated r2 values of 0.984 were obtained from the CoMSIA model, respectively.At the same time, the microscopic structures of Mer kinase domain binding with inhibitors have been studied by molecular docking.Conclusion: The satisfactory results suggest that the 3D-QSAR models and the reasonable Mer kinase inhibitor can help for pred cting the activity of new inhibitors in future drug designing.
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