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In silico interaction of catechin with some immunomodulatory targets: A docking analysis
Indian Journal of Biochemistry and Biophysics ( IF 1.5 ) Pub Date : 2018-11-12
Aditya Ganeshpurkar, Ajay Saluja

The use of plant products as immunomodulator has a long history. For eternal era, plant, mineral and animal products are used as drugs for the treatment of various diseases. The present-day synthetic compounds find their leads in natural products. The process of immunomodulation amends the immune system of an individual by prying with its usual functions. Research of immunomodulators from natural sources has been extensively studied for modulation of immune system along with protection and prevention of diseases. Catechin, a flavonoid has been investigated for its potential anti-inflammatory effects. Analgesic effects have been observed for catechin in experimental animals. The present study is focused on exploring the in silico interaction of catechin with some chemokines and inflammatory targets. In this study, catechin was docked with tumour necrosis factor alpha (TNF-α), interleukin (IL)-1β, IL-6, inducible nitric oxide synthase (iNOS) and cyclooxygenase 2 (COX-2). Docking studies revealed the interaction of catechin with these targets. The result of present study provides insight for the discovery of novel molecules for immunomodulation and treatment of inflammatory disorders. Findings from the present study show that catechin interact with several chemokines and inflammatory mediators. Further studies quantitative structure activity relationship and quantitative structure property relationship on catechin and associated flavonoids are necessary to develop and establish studies which may serve a stepping stone for the development of novel and safe immunomodulator. Catechin, can, therefore, can be considered as a candidate for development of an immunomodulatory agent.

中文翻译:

儿茶素与某些免疫调节靶标的计算机相互作用:对接分析

使用植物产品作为免疫调节剂已有很长的历史。在永恒的时代,植物,矿物质和动物产品被用作治疗各种疾病的药物。当今的合成化合物在天然产物中找到领先地位。免疫调节过程通过撬开其通常的功能来修正个体的免疫系统。已经对来自天然来源的免疫调节剂的研究进行了广泛的研究,以调节免疫系统以及保护和预防疾病。儿茶素是一种类黄酮,具有潜在的抗炎作用。在实验动物中已观察到儿茶素的镇痛作用。本研究的重点是探索计算机技术儿茶素与某些趋化因子和炎症靶标的相互作用 在这项研究中,儿茶素与肿瘤坏死因子α(TNF-α),白介素(IL)-1β,IL-6,诱导型一氧化氮合酶(iNOS)和环氧合酶2(COX-2)对接。对接研究揭示了儿茶素与这些靶标的相互作用。本研究的结果为发现用于免疫调节和治疗炎症性疾病的新型分子提供了见识。从本研究中发现,儿茶素与几种趋化因子和炎症介质相互作用。进一步研究儿茶素和相关类黄酮的定量结构活性关系和定量结构性质关系是开展和建立研究的必要条件,这些研究可能为开发新型安全的免疫调节剂奠定基础。
更新日期:2018-11-12
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