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In silico search of inhibitors of Streptococcus mutans for the control of dental plaque

机译:在Silico搜索链球菌抑制剂以控制牙菌斑的控制

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Biofilm is an extremely complex microbial community arranged in a matrix of polysaccharides and attached to a substrate. Its development is crucial in the pathophysiology of oral infections like dental caries, as well as in periodontal, pulp, and periapical diseases. Streptococcus mutans is one of the most effective microorganisms in lactic acid production of the dental biofilm. Identifying essential Streptococcus mutans proteins using bioinformatics methods helps to search for alternative therapies. To this end, the bacterial genomes of several Streptococcus mutans strains and representative strains of other cariogenic and non-cariogenic bacteria were analysed by identifying pathogenicity islands and alignments with other bacteria, and by detecting the exclusive genes of cariogenic species in comparison to the non-pathogenic ones. This study used tools for orthology prediction such as BLAST and OrthoMCL, as well as the server IslandViewer for the detection of pathogenicity islands. In addition, the potential interactome of Streptococcus mutans was rebuilt by comparing it to interologues of other species phylogenetically close to or associated with cariogenicity. This protocol yielded a final list of 20 proteins related to potentially virulent factors that can be used as therapeutic targets in future analyses. The EIIA and EIIC enzymatic subunits of the phosphotransferase system (PTS) were prioritized, as well as the pyruvate kinase enzyme, which are directly involved in the metabolism of carbohydrates and in obtaining the necessary energy for the microorganism's survival. These results will guide a subsequent experimental trial to develop new, safe, and effective molecules in the treatment of dental caries.
机译:生物膜是一种极其复杂的微生物群体,其布置在多糖基质中并连接到基材上。其发展在龋齿龋病等口腔感染的病理生理学中至关重要,以及牙周,纸浆和恐慌疾病。链球菌异常是牙科生物膜乳酸产生中最有效的微生物之一。使用生物信息学方法鉴定必需的链球菌变形蛋白有助于寻找替代疗法。为此,通过鉴定致病性岛屿和与其他细菌的比对,分析几种链球菌异常菌株和其他致癌和非致癌细菌的代表性菌株的细菌基因组,并通过检测非 - 致癌物种的专用基因病原体。这项研究使用了用于爆炸和俄罗斯的原始预测的工具,以及用于检测致病性岛屿的服务器岛景者。另外,通过将其与系统邻近或与致癌性相关或相关的其他物种的介入来重建链球菌变形的潜在蛋白酶。该方案产生了与潜在的毒力因子相关的20个蛋白质的最终列表,这些毒性因子可以在未来分析中用作治疗目标。优先考虑磷酸转移酶系统(PTS)的EIIA和EIIC酶促亚基,以及丙酮酸激酶酶,其直接参与碳水化合物的代谢以及获得微生物的生存的必要能量。这些结果将指导随后的实验试验,以在治疗龋齿中开发新的安全和有效分子。

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