| 治疗NSCLC的EGFR靶向性药物设计与筛选 |
| |
| 引用本文： | 马寨璞,石长灿,张春泉,晋君.治疗NSCLC的EGFR靶向性药物设计与筛选[J].河北大学学报(自然科学版),2011,31(3):288-293. |
| |
| 作者姓名： | 马寨璞 石长灿 张春泉 晋君 |
| |
| 作者单位： | 河北大学生命科学学院,河北,保定,071002 |
| |
| 摘 要： | 计算了现有的治疗非小细胞肺癌(NSCLC)常见药物的相关参数,总结了以表皮生长因子受体(EGFR)酪氨酸激酶为靶标的药物分子的药效团特征.在Gefitinib的基础上进行了药物分子的组合化学设计,通过虚拟筛选得到了分子对接得分较高的结构分子,并对其进行了预测和模拟.结果表明:新设计筛选出的2种分子在药代动力学和毒性方面...
|
| 关 键 词： | NSCLC EGFR 药物设计与筛选 |
Design and Screening of EGFR Targeted Drug in Treating NSCLC |
| |
| MA Zhai-pu,SHI Chang-can,ZHANG Chun-quan,JIN Jun.Design and Screening of EGFR Targeted Drug in Treating NSCLC[J].Journal of Hebei University (Natural Science Edition),2011,31(3):288-293. |
| |
| Authors: | MA Zhai-pu SHI Chang-can ZHANG Chun-quan JIN Jun |
| |
| Institution: | (College of Life Sciences,Hebei University,Baoding 071002,China) |
| |
| Abstract: | The related parameters of the common drug that treated the non-small cell lung cancer(NSCLC) were calculated,and the pharmacophore features of the drug molecule which target was epidermal growth factor receptor(EGFR) was concluded.On the basis of Gefitinib structure,the new drugs were designed by combinatorial chemistry principles.The drug molecules with high libdockscore score were obtained through the virtual screening,and then the drug molecules were predicted and simulated.The research showed that: two kinds of drugs were better than Gefitinib in pharmacokinetics and toxicity,and the molecular dynamic process was as stable as Gefitinib. |
| |
| Keywords: | NSCLC EGFR drug design and screening |
| 本文献已被 CNKI 万方数据 等数据库收录！ |
|
