耐药大肠埃希菌β-内酰胺酶基因检测与LAP-2型β-内酰胺酶分子对接研究  

Detection of beta-lactamase gene in drug-resistant Escherichia coli and molecular docking situation of LAP-type 2 beta-lactamase

作　　者：原鸿雁[1] 孙强[1] 尹晶平[1] 高晶晶[1] 苏兆亮[1] 糜祖煌[2] 王胜军[1] 许化溪[1] 

机构地区：[1]江苏大学检验医学研究所免疫学研究室,江苏镇江212013 [2]无锡市克隆遗传技术研究所,江苏无锡214026

出　　处：《中华医院感染学杂志》2013年第10期2267-2270,共4页Chinese Journal of Nosocomiology

基　　金：中国博士后基金(2012M511705)

摘　　要：目的检测20株耐药大肠埃希菌β-内酰胺酶基因,研究LAP-2型β-内酰胺酶分子对接情况,以了解LAP-2型β-内酰胺酶对11种β-内酰胺类药物水解活性。方法 22种β-内酰胺酶基因检测均为PCR法,在SWISS-MODEL利用PDB数据库作同源建模获得LAP-2型β-内酰胺酶的受体分子3D结构,使用ArgusLab4.1软件中的DOCK模块作11种β-内酰胺类药物和克拉维酸β-内酰胺酶抑制剂与LAP-2型β-内酰胺酶分子对接。结果 20株耐药大肠埃希菌中18株检出β-内酰胺酶基因,检出阳性率为90.0%,其中TEM阳性率50.0%,CTX-M-1群阳性率65.0%,LAP阳性率5.0%,LAT/CMY阳性率5.0%,OXA-1群阳性率25.0%;LAP-2型β-内酰胺酶催化效率最高的为阿莫西林。结论 11种β-内酰胺类药物和1种β-内酰胺酶抑制剂与LAP-2型β-内酰胺酶对接的结合自由能,阿莫西林、氨苄西林和头孢噻肟结合自由能下降为前3位。OBJECTIVE To detect the beta-lactamase genes in 20 strains of drug-resistant Escherichia coli and research the molecular docking situation of LAP-type 2 beta-lactamase so as to understand the hydrolysis activity of 11 β- lactam drugs to LAP-2 β- lactamase. METHODS PCR method was used for genetic testing of 22 kinds of beta-lactamase. In the SWISS-MODEL, PDB database was employed to get the molecules 3D structure of LAP- type 2 beta-lactamase receptor by homology modeling, the DOCK module of ArgusLab 4.1 software was used to finish the molecular docking of the 11 kinds of beta-lactam drugs and rod acid beta lactamase inhibitor with LAP- type 2 beta-lactamase. RESULTS In the 20 strains of DR-ECO fungus, beta-lactamase gene was detected in 18 strains with the total positive rate of beta-lactamase gene of 90.0%, among which the positive rate of TEM was 50. 0%,CTX-M-1 65. 0%,LAP 5.0%,LAT/CMY 5. 0%, and OXA-1 25. 0%, It meant that the LAP-type 2 beta-lactamase had the highest catalytic efficiency for amoxicillin. CONCLUSION The binding free energy of 11 kinds of beta lactam drugs and 1 kind of beta lactamase inhibitor with LAP-type 2 beta-lactamase would decline, and amoxicillin, ampicillin, and cefotaxime are the top three.

关 键 词：大肠埃希菌 Β-内酰胺酶类 分子对接 结合自由能 

分 类 号：R378[医药卫生—病原生物学]