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In Silico Knockout Screening of Plasmodium falciparum Reactions and Prediction of Novel Essential Reactions by Analysing the Metabolic Network

机译:恶性疟原虫反应的计算机基因敲除筛选和通过分析代谢网络预测新的必需反应

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摘要

Malaria is an infectious disease that affects close to half a million individuals every year and Plasmodium falciparum is a major cause of malaria. The treatment of this disease could be done effectively if the essential enzymes of this parasite are specifically targeted. Nevertheless, the development of the parasite in resisting existing drugs now makes discovering new drugs a core responsibility. In this study, a novel computational model that makes the prediction of new and validated antimalarial drug target cheaper, easier, and faster has been developed. We have identified new essential reactions as potential targets for drugs in the metabolic network of the parasite. Among the top seven (7) predicted essential reactions, four (4) have been previously identified in earlier studies with biological evidence and one (1) has been with computational evidence. The results from our study were compared with an extensive list of seventy-seven (77) essential reactions with biological evidence from a previous study. We present a list of thirty-one (31) potential candidates for drug targets in Plasmodium falciparum which includes twenty-four (24) new potential candidates for drug targets.
机译:疟疾是一种传染病,每年影响近半百万人,而恶性疟原虫是引起疟疾的主要原因。如果该寄生虫的必需酶被特异性靶向,则可以有效地治疗该疾病。尽管如此,现在抵抗现存药物的寄生虫的发展使发现新药成为一项核心责任。在这项研究中,已开发出一种新颖的计算模型,该模型可使对新的和经过验证的抗疟药目标的预测更便宜,更容易和更快。我们已经确定了新的基本反应作为寄生虫代谢网络中药物的潜在靶标。在预计的前七大反应(7)中,先前有生物学证据的研究中已经确定了四(4)个,而有计算机证据的研究则占一(1)个。我们的研究结果与先前研究的生物学证据广泛地列出了七十七(77)种必不可少的反应。我们在恶性疟原虫中列出了三十一(31)个潜在的候选药物靶标,其中包括二十四(24)个潜在的新候选药物靶标。

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