Structural basis of pesticide detection by enzymatic biosensing: a molecular docking and MD simulation study

Designing of rapid, facile, selective, and cost-effective biosensor technology is a growing area for the detection of various classes of pesticides. The biosensor with these features can be achieved only through the various bio-components using different transducers. This study, therefore, focuses on the usage of molecular docking, specificity tendencies, and capabilities of proteins for the detection of pesticides. Accordingly, the four transducers, acetylcholinesterase (ACH), cytochromes P450 (CYP), glutathione S-transferase (GST), and protein kinase C (PKC) were selected based on their applications including neurotransmitter, metabolism, detoxification enzyme, and protein phosphorylation. Then after molecular docking of the pesticides, fenobucarb, dichlorodiphenyltrichloroethane (DDT), and parathion onto each enzyme, the conformational behavior of the most stable complexes was further analyzed using 50 ns Molecular Dynamics (MD) simulations carried out under explicit water conditions. In the case of protein kinase C (PKC) and cytochrome P450 3A4 enzyme (CYP), the fenobucarb complex showed the most suitable combination of free energy of binding and inhibition constant ?4.42 kcal/mol (573.73 μM) and ?5.1 kcal/mol (183.49 μM), respectively. Parathion dominated for acetylcholinesterase (ACH) with ?4.57 kcal/mol (448.09 μM) and lastly dichlorodiphenyltrichloroethane for glutathione S-transferase (GST), ?5.43 kcal/mol (103.88 μM). The RMSD variations were critical for understanding the impact of pesticides as they distinctively influence the energetic attributes of the proteins. Overall, the outcomes from the extensive analysis provide an insight into the structural features of the proteins studied, thereby highlighting their potential use as a substrate in biorecognition sensing of pesticide compounds.     

赣江流域底泥中有机氯农药残留特征及空间分布

基于"临水垂直插管法"采集赣江流域32个采样点的底泥样品,经索氏提取方法(Soxhlet Extraction,SE)前处理及气相色谱法(GC-ECD)检测样品中有机氯农药(OCPs)含量。结合多元统计学和ArcGIS9.3,研究了8种有机氯农药的残留状况及空间分布情况。结果表明,所检测8种OCPs中,除β-HCH有2个点未检出,其它7种OCPs检出率为100%。以DDTs残留含量最高,DDTs平均值为10.40μg/kg,其异构体以p,p’-DDT为主;HCHs的平均值为8.24μg/kg,其异构体以β-HCH为主。它们除了来自环境中的早期残留外,仍然具有新的外源HCHs和DDTs的输入。不同OCPs在研究区分布存在很大差异,HCHs总量分布较高的地区位于流域的中下游,DDTs总量分布较高的地区位于流域的中上游。     

Haematological and histological changes in fish Heteropneustes fossilis exposed to pesticides from industrial waste water

The present study investigated the potential changes in hematologic parameters and histology of fish Heteropneustes fossilis when exposed to industrial waste water of different concentrations. The toxicant enter into the fish body from different rout, inhalation, dermal oral, and other several rout for entering in the fish body. The blood parameters of fish H. fossilis control group and treatment were investigated on 1st, 5th, 10th, and 20th days of experiment, hematologic variation was observed in RBC, WBC, MCV, MCH, and MCHC count. Histopathologic changes in liver, intestine, gill, muscle, and heart showed increasing degrees of damage in the tissues in correlation with the accumulation pattern of pesticides, while liver, intestine, gill, muscle, and heart of control group exhibited a normal architecture. Toxic effects of pesticides vary in different organs of the fish H. fossilis significant. The fish exposed to higher concentration showed uncoordinated alterations in behavioral responses, especially erratic and jerky swimming, physiologic, malformation, histologic, hematologic and biochemical changes, frequent surfacing and in gulping, mucus secretion, an increase in opercular movement, and copious secretion of mucus of all over the body.     

Pesticide-Induced Immunotoxicity: Are Humans at Risk?

One of the first immunotoxicology studies determined that exposure of ducks to DDT reduced their resistance to a virus infection. The immunotoxic potential of insecticides and herbicides has subsequently been studied extensively in laboratory animals, driven by the global distribution and use of these chemicals. (Ten of the twelve persistent organic pollutants, identified by the United Nations Environmental Program as posing the greatest threat to humans and wildlife, are pesticides; all have been reported to alter immune function under laboratory conditions.) Nevertheless, our knowledge of the human health risks associated with pesticide use and exposure is far from complete. This paper provides a brief overview of the potential effects of chemicals on the immune system, and host factors that mitigate or exacerbate immunotoxic effects. Examples of rodent studies that exemplify categories of pesticide-induced immune system effects are then provided as an introduction to a discussion of pesticide immunotoxicity in humans.     

小菜蛾酯酶基因的克隆

根据已知的酯酶基因的保守性氨基酸序列设计简并引物 ,通过逆转录 -聚合酶链反应 (RT PCR)扩增出小菜蛾PlutellaxylostellaL .酯酶基因片段 ,然后按照测序结果再设计 1对特异引物 ,利用PCR方法 ,筛选小菜蛾的cDNA文库。将RT PCR获得的 1条长度为 3 3 0bp的目的条带 ,亚克隆入T -载体 ,测序结果表明共得到了 1 0个不同的酯酶基因片段。利用特异引物对小菜蛾的cDNA文库进行初筛 ,显示文库中存在有小菜蛾的酯酶基因。     

太湖湿地生态系统有机氯污染的夜鹭生物指示

1999年春季,在对无锡鼋头渚鹭鸟种群野外生态调查的基础上,对夜鹭幼鸟反吐物,觅食地底泥和水体进行了采样,并在实验室用气相色谱测定了样品中的α-HCH、β-HCH、γ-HCH、艾氏剂、狄氏剂、异狄氏剂、七氯、环氧七氯、p,p'-DDE、p,p'-DDD、o,p'-DDT和p,p'-DDT等有机氯农药的残留状况,结果表明,在有机氯农药禁用近20年后,六六六的异构体和滴滴涕及其衍生物均能在环境中和夜鹭食物中有不明,在有机氯农药禁用近20年后,六六六的异构体和滴滴涕及其衍生物均能在环境中和夜鹭食物中有不明,在有机氯农药禁用近20年后,六六六的异构体和滴滴涕及其衍生物均能在环境中和夜鹭食物中有不检出,有机氯污染物沿夜鹭食物链产生逐级富集,太湖湿地生态系统中夜鹭卵富集了滴滴涕万倍以上,富集了六六六数千倍,从而使有机氯污染物易被检测,因此夜鹭锘放可作为湿地生态系统有机氯污染的生物指示物。     

假单胞菌WBC—3甲基对硫磷水解酶性质的初步研究

从最近分离到的有机磷农药降解菌Pseudomonas sp．WBC—3中获得了甲基对硫磷水解酶（Methyl parathion hydrolase,MPH,EC3．1．8．3)。该酶在48h的培养物中分布比例分别为：上清液2．1％,胞内86．2％和胞间质11．7％,说明MPH为胞内酶。经过CM—sepharose Fast Flow阳离子交换层析,获得电泳纯的酶。SDS—PAGE和凝胶过滤层析表明,该酶为单体蛋白,分子量约为34kD。动力学分析显示该酶为非特异性有机磷降解酶,但最适底物为甲基对硫磷。在pH9～12范围,酶表现较高活力水平,最高活力的反应温度为40℃。根据各类金属离子和鳌合剂对酶活的影响,推测MPH为金属酶。     

有机磷农药降解菌及其基因工程研究新进展

有机磷农药是目前我国使用量最大的农药,对农业的发展有重要的作用,但同时造成了严重的环境污染.利用微生物及其产生的降解酶来降解农药是行之有效的方法.随着分子生物学技术的深入利用,农药的微生物降解已在基因工程领域取得了很大进展.本文综述了有机磷农药降解微生物的筛选、降解酶和基因的克隆、基因工程菌的构建以及应用等几个方面的研究进展.     

细菌基因工程杀虫剂研究进展

本文综述了在细菌基因工程杀虫菌构建过程中涉及到或可能涉及到的杀虫基因或因素的种类和特性 ,描述了工程菌构建的方法及策略 ,以及目前所获得的各类工程杀虫菌 ;讨论了杀虫工程菌的应用潜力和发展方向。     

降解有机氯农药的微生物菌株分离筛选及应用效果

以有机氯农药 (666、DDT)作为唯一碳源的Tonomura培养基分离筛选后,得到降解 666(BHC)的主要菌株有153号 (芽孢菌属Bacillus)、411号(无色杆菌属Achromobacter)和 512号 (假单孢菌属Pseudomonas),其对 666总量的降解率分别为 59.6%、56.9%和 56%,对 β-666的降解率分别为 55.9%、57.6%和56.9%.降解DDT的主要菌株有:288号(产碱杆菌属Alcaligenes)、410号和 411号 (均为无色杆菌属),其对DDT总量的降解率分别达 5 9.0%、47.5%和 45.1%,对PP′-DDT的降解率为 59.9%、57.6%和 49.6%.将这些分离出的菌株制成复合菌剂,应用于盆栽试验和田间试验,所得到的降解效应类似于纯培养试验,表明田间应用复合菌剂,对降解农药残留是可行的.