Jaiswal Arun Kumar, Tiwari Sandeep, Jamal Syed Babar, Oliveira Letícia de Castro, Sales-Campos Helioswilton, Andrade-Silva Leonardo Eurípedes, Oliveira Carlo Jose Freire, Ghosh Preetam, Barh Debmalya, Azevedo Vasco, Soares Siomar C, Rodrigues Virmondes Rodrigues, da Silva Marcos Vinicius
Graduate Program in Bioinformatics, Institute of Biological Sciences, Federal University of Minas Gerais (UFMG), Belo Horizonte, MG, Brazil.
Department of Immunology, Microbiology and Parasitology, Institute of Biological Sciences and Natural Sciences, Federal University of Triângulo Mineiro (UFTM), Uberaba, MG, Brazil.
J Venom Anim Toxins Incl Trop Dis. 2021 Apr 9;27:e20200027. doi: 10.1590/1678-9199-JVATITD-2020-0027.
and are gram-positive bacterial pathogens and the causative agents of leprosy in humans across the world. The elimination of leprosy cannot be achieved by multidrug therapy alone, and highlights the need for new tools and drugs to prevent the emergence of new resistant strains.
In this study, our contribution includes the prediction of vaccine targets and new putative drugs against leprosy, using reverse vaccinology and subtractive genomics. Six strains of and (4 and 2 strains, respectively) were used for comparison taking strain TN as the reference genome. Briefly, we used a combined reverse vaccinology and subtractive genomics approach.
As a result, we identified 12 common putative antigenic proteins as vaccine targets and three common drug targets against and Furthermore the docking analysis using 28 natural compounds with three drug targets was done.
The bis-naphthoquinone compound Diospyrin (CID 308140) obtained from indigenous plant spp showed the most favored binding affinity against predicted drug targets, which can be a candidate therapeutic target in the future against leprosy.
[菌名1]和[菌名2]是革兰氏阳性细菌病原体,也是全球人类麻风病的病原体。仅通过多药疗法无法实现消除麻风病的目标,这凸显了需要新的工具和药物来防止新的耐药菌株出现。
在本研究中,我们的贡献包括使用反向疫苗学和消减基因组学预测麻风病的疫苗靶点和新的潜在药物。以[菌名1]菌株TN作为参考基因组,使用6株[菌名1]和[菌名2](分别为4株和2株)进行比较。简而言之,我们采用了反向疫苗学和消减基因组学相结合的方法。
结果,我们鉴定出12种常见的潜在抗原蛋白作为疫苗靶点,以及3种针对[菌名1]和[菌名2]的常见药物靶点。此外,还使用28种天然化合物对3个药物靶点进行了对接分析。
从本土植物[植物名]中获得的双萘醌化合物柿素(CID 308140)对预测的药物靶点显示出最有利的结合亲和力,未来可能成为治疗麻风病的候选治疗靶点。