Division of Parasitology, Central Drug Research Institute, Lucknow, India.
Antimicrob Agents Chemother. 2013 Aug;57(8):3843-56. doi: 10.1128/AAC.02264-12. Epub 2013 Jun 3.
The endosymbiotic organism Wolbachia is an attractive antifilarial drug target. Here we report on the cloning and expression of an rsmD-like rRNA methyltransferase from the Wolbachia endosymbiont of Brugia malayi, its molecular properties, and assays for specific inhibitors. The gene was found to be expressed in all the major life stages of B. malayi. The purified enzyme expressed in Escherichia coli was found to be in monomer form in its native state. The activities of the specific inhibitors (heteroaryl compounds) against the enzyme were tested with B. malayi adult and microfilariae for 7 days in vitro at various concentrations, and NSC-659390 proved to be the most potent compound (50% inhibitory concentration [IC50], 0.32 μM), followed by NSC-658343 (IC50, 4.13 μM) and NSC-657589 (IC50, 7.5 μM). On intraperitoneal administration at 5 mg/kg of body weight for 7 days to adult jirds into which B. malayi had been transplanted intraperitoneally, all the compounds killed a significant proportion of the implanted worms. A very similar result was observed in infected mastomys when inhibitors were administered. Docking studies of enzyme and inhibitors and an in vitro tryptophan quenching experiment were also performed to understand the binding mode and affinity. The specific inhibitors of the enzyme showed a higher affinity for the catalytic site of the enzyme than the nonspecific inhibitors and were found to be potent enough to kill the worm (both adults and microfilariae) in vitro as well as in vivo in a matter of days at micromolar concentrations. The findings suggest that these compounds be evaluated against other pathogens possessing a methyltransferase with a DPPY motif and warrant the design and synthesis of more such inhibitors.
内共生体沃尔巴克氏体是一种有吸引力的抗丝虫药物靶标。在这里,我们报告了从班氏丝虫的沃尔巴克氏体共生体中克隆和表达的 rsmD 样 rRNA 甲基转移酶,及其分子特性和特定抑制剂的测定。该基因在班氏丝虫的所有主要生命阶段都有表达。在大肠杆菌中表达的纯化酶在其天然状态下呈单体形式。在不同浓度下,用 B. malayi 成虫和微丝蚴在体外进行了 7 天的实验,测试了针对该酶的特定抑制剂(杂芳基化合物)的活性,结果表明 NSC-659390 是最有效的化合物(半抑制浓度 [IC50],0.32 μM),其次是 NSC-658343(IC50,4.13 μM)和 NSC-657589(IC50,7.5 μM)。在将 B. malayi 经腹腔移植到成年沙鼠体内后,以 5mg/kg 体重的剂量经腹腔给予 7 天,所有化合物均能杀死相当比例的植入蠕虫。在感染的mastomys 中给予抑制剂时,也观察到了非常相似的结果。还进行了酶和抑制剂的对接研究以及体外色氨酸猝灭实验,以了解结合模式和亲和力。与非特异性抑制剂相比,该酶的特异性抑制剂对酶的催化部位具有更高的亲和力,并且在体外和体内均在数天内以微摩尔浓度对蠕虫(成虫和微丝蚴)具有足够的杀伤作用。这些发现表明,这些化合物应针对具有 DPPY 基序的甲基转移酶的其他病原体进行评估,并值得设计和合成更多此类抑制剂。