现代农药
現代農藥
현대농약
MODERN AGROCHEMICALS
2015年
2期
14-18
,共5页
乙酰胆碱酯酶%农药%虚拟筛选%分子对接
乙酰膽堿酯酶%農藥%虛擬篩選%分子對接
을선담감지매%농약%허의사선%분자대접
acetylcholinesterase%pesticide%virtual screening%molecular docking
酶抑制法是最具前景的农药残留快速检测方法,但存在灵敏度和准确性方面的缺陷。新酶源的发掘和研究是酶抑制法发展的关键。通过同源建模及分子对接技术,对不同物种的乙酰胆碱酯酶与不同农药分子的敏感性进行了虚拟筛选,并分析了可能影响农药敏感性的关键氨基酸残基,为农药残留检测用酶的选择以及采用定点突变技术对酶进行改造的可行性提供科学依据。
酶抑製法是最具前景的農藥殘留快速檢測方法,但存在靈敏度和準確性方麵的缺陷。新酶源的髮掘和研究是酶抑製法髮展的關鍵。通過同源建模及分子對接技術,對不同物種的乙酰膽堿酯酶與不同農藥分子的敏感性進行瞭虛擬篩選,併分析瞭可能影響農藥敏感性的關鍵氨基痠殘基,為農藥殘留檢測用酶的選擇以及採用定點突變技術對酶進行改造的可行性提供科學依據。
매억제법시최구전경적농약잔류쾌속검측방법,단존재령민도화준학성방면적결함。신매원적발굴화연구시매억제법발전적관건。통과동원건모급분자대접기술,대불동물충적을선담감지매여불동농약분자적민감성진행료허의사선,병분석료가능영향농약민감성적관건안기산잔기,위농약잔류검측용매적선택이급채용정점돌변기술대매진행개조적가행성제공과학의거。
Enzyme inhibition method is the most promising of rapid determination of pesticide residues, but with defective sensitivity and accuracy. The discovery and research of new enzymes are the key to the development of enzyme inhibition method. The paper finished the virtual screening of acetylcholinesterase sensitive to pesticides from different species, and analyzed the critical amino acid residues for the sensitivity to pesticides based on a new strategy of homology modeling and molecular docking technology. The result would provide scientific basis for choosing the enzymes in detection of pesticide residues and for carrying out molecule rational design of novel target enzymes using site-specific mutagenesis.