Department of Entomology, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA.
Arch Insect Biochem Physiol. 2013 Aug;83(4):180-94. doi: 10.1002/arch.21104. Epub 2013 Jun 5.
A series of bis(n)-tacrines were used as pharmacological probes of the acetylcholinesterase (AChE) catalytic and peripheral sites of Blattella germanica and Drosophila melanogaster, which express AChE-1 and AChE-2 isoforms, respectively. In general, the potency of bis(n)-tacrines was greater in D. melanogaster AChE (DmAChE) than in B. germanica AChE (BgAChE). The change in potency with tether length was high in DmAChE and low in BgAChE, associated with 90-fold and 5.2-fold maximal potency gain, respectively, compared to the tacrine monomer. The optimal tether length for Blattella was 8 carbons and for Drosophila was 10 carbons. The two species differed by only about twofold in their sensitivity to tacrine monomer, indicating that differential potency occurred among dimeric bis(n)-tacrines due to structural differences in the peripheral site. Multiple sequence alignment and in silico homology modeling suggest that aromatic residues of DmAChE confer higher affinity binding, and the lack of same at the BgAChE peripheral site may account, at least in part, to the greater overall sensitivity of DmAChE to bis(n)-tacrines, as reflected by in vitro assay data. Topical and injection assays in cockroaches found minimal toxicity of bis(n)-tacrines. Electrophysiological studies on D. melanogaster central nervous system showed that dimeric tacrines do not readily cross the blood brain barrier, explaining the observed nonlethality to insects. Although the bis(n)-tacrines were not good insecticide candidates, the information obtained in this study should aid in the design of selective bivalent ligands targeting insect, pests, and disease vectors.
一系列双(N)-他克林被用作德国蟑螂和黑腹果蝇乙酰胆碱酯酶(AChE)催化和外周部位的药理学探针,它们分别表达 AChE-1 和 AChE-2 同工酶。一般来说,双(N)-他克林在黑腹果蝇 AChE(DmAChE)中的效力大于德国蟑螂 AChE(BgAChE)。DmAChE 中效力随连接体长度的变化较大,BgAChE 中变化较小,与他克林单体相比,分别获得了 90 倍和 5.2 倍的最大效力增益。对德国蟑螂最有效的连接体长度为 8 个碳原子,对黑腹果蝇为 10 个碳原子。这两个物种对他克林单体的敏感性仅相差约两倍,这表明由于外围部位结构的差异,二聚双(N)-他克林的效力存在差异。多重序列比对和计算机同源建模表明,黑腹果蝇 AChE 的芳香族残基赋予了更高的亲和力结合,而在 BgAChE 外围部位缺乏相同的残基,至少部分解释了 DmAChE 对双(N)-他克林的整体敏感性更高,这反映在体外测定数据中。在蟑螂中进行的局部和注射试验发现双(N)-他克林的毒性极小。对黑腹果蝇中枢神经系统的电生理研究表明,二聚体他克林不易穿过血脑屏障,这解释了对昆虫观察到的非致死性。尽管双(N)-他克林不是很好的杀虫剂候选物,但本研究获得的信息应该有助于设计针对昆虫、害虫和疾病载体的选择性双价配体。