In Silico Phytochemical Screening for Dengue Virus

Annliya Raju, Ann Maria Jacob, Mary Anagha C. X
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Abstract

By and by, the world is fighting with dengue for long decades.  However, the pathogenesis of dengue has not yet been fully elucidated. Dengue fever is a virus infection that is spread by the Aedes aegypti mosquito and can cause severe disease especially in children. Dengue fever is a major problem throughout the world especially tropical and sub-tropical regions of the world.The disease is still tearing down the world. Millions of researchers are still continuing for the potential medication up-and-comer that could help the medical care framework to keep world health. We present a docking?based screening using a quantum mechanical scoring of a library built from approved drugs and compounds that Gingerol, Honokiol, Thiosulfinate, Saponin, Coumarin, Apigenin, Limonin, Baicalin, Quercetin, Tannin amine, Ajoene, Curcumin, with proteins with PDB id’s 4OIG, 6VSO could display antiviral activity against destructive dengue virus. Clearly, these compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against Dengue virus.
登革病毒的硅基植物化学筛选
渐渐地,世界与登革热斗争了几十年。然而,登革热的发病机制尚未完全阐明。登革热是一种由埃及伊蚊传播的病毒感染,可导致严重疾病,特别是在儿童中。登革热是全世界特别是热带和亚热带地区的一个主要问题。这种疾病仍在肆虐世界。数以百万计的研究人员仍在继续寻找可能帮助医疗保健框架保持世界健康的潜在药物。我们进行对接吗?基于量子力学评分对已批准的药物和化合物库进行筛选,发现姜辣素、红木酚、硫代亚硫酸盐、皂素、香豆素、芹菜素、柠檬素、黄芩苷、槲皮素、单宁胺、Ajoene、姜黄素,以及具有PDB id的4OIG、6VSO的蛋白质可以显示出对破坏性登革热病毒的抗病毒活性。显然,这些化合物应该在实验分析和临床试验中进一步评估,以确认它们对疾病的实际活性。我们希望这些发现能对合理设计抗登革病毒药物有所帮助。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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