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Identification of novel therapeutic candidates in Cryptosporidium parvum: an in silico approach

机译：鉴定Cryptosporidium parvum中的新疗法候选者：硅方法

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摘要

Unavailability of vaccines and effective drugs are primarily responsible for the growing menace of cryptosporidiosis. This study has incorporated a bioinformatics-based screening approach to explore potential vaccine candidates and novel drug targets in Cryptosporidium parvum proteome. A systematic strategy was defined for comparative genomics, orthology with related Cryptosporidium species, prioritization parameters and MHC class I and II binding promiscuity. The approach reported cytoplasmic protein cgd7_1830, a signal peptide protein, as a novel drug target. SWISS-MODEL online server was used to generate the 3D model of the protein and was validated by PROCHECK. The model has been subjected to in silico docking study with screened potent lead compounds from the ZINC database, PubChem and ChEMBL database using Flare software package of Cresset?. Furthermore, the approach reported protein cgd3_1400, as a vaccine candidate. The predicted B- and T-cell epitopes on the proposed vaccine candidate with highest scores were also subjected to docking study with MHC class I and II alleles using ClusPro web server. Results from this study could facilitate selection of proteins which could serve as drug targets and vaccine candidates to efficiently tackle the growing threat of cryptosporidiosis.
机译：疫苗和有效药物的不可用主要负责越来越多的隐孢子虫病。该研究纳入了基于生物信息学的筛选方法，用于探讨潜在的疫苗候选物和新型药物靶标在隐孢子虫蛋白质组中。为比较基因组学，与相关的隐孢子虫种类，优先级参数和MHC等级滥用的对比基因组学。该方法报告了细胞质蛋白CGD7_1830，一种信号肽蛋白，作为新药靶标。 Swiss-Model在线服务器用于生成蛋白质的3D模型，并通过Procheck验证。该模型已经在硅基对接研究中进行了来自锌数据库，Pubchem和ChemBL数据库的筛选有效的铅化合物，使用射击软件包的芝士包？此外，该方法报告了蛋白CGD3_1400，作为疫苗候选者。在所提出的疫苗候选者上预测的B-和T细胞表位也具有最高分数的疫苗候选者使用ClusPro Web服务器与MHC I类和II等位基因进行对接研究。本研究的结果可以促进蛋白质的选择，该蛋白质可以作为药物靶标和疫苗候选者，以有效地解决越来越多的隐孢子虫病威胁。

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