利用虚拟筛选和药效学建模发现具有生物活性的天然产品作为气味结合蛋白的抑制剂

Sathish Kumar Mittapalli, J. N. N. Sharath Chandra, Jay Prakash Soni, Ram Babu Tripathi, I. Rizwana
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引用次数: 0

摘要

非洲、美洲和地中海东部有 100 多个国家流行登革热和疟疾,这些蚊虫叮咬有可能对局部或全身产生炎症或感染性影响。研究人员对各种来源的驱蚊剂和植物驱蚊剂进行了研究,研究人员经常夸大上述化合物的毒性,声称其对人类健康甚至环境构成威胁,最近的研究也有相关报道。这篇文章的目的是研究合成物和天然物的历史发展战略,以及那些作用于某些靶点的驱避特性,发现靶点的目的是确定和验证用于治疗干预的适当药理学靶点,并利用各种理化参数和硅学研究建立分子与其驱避效力之间的相关性。这项研究证明,与一些标准驱虫剂相比,一些天然化合物具有很强的驱虫效果,这一范例提供了广泛的前景,将加快先导分子修饰对新型靶标的影响,并通过考虑设计新型分子的所有方法,最终优化分子特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Virtual Screening and Pharmacophore Modeling for discovery of Biologically Active Natural Products as Inhibitors of Odorant-binding Proteins
More than 100 nations in Africa, the Americas and the Eastern Mediterranean have endemic dengue and malaria, and these bites have the potential to have inflammatory or infectious local or systemic effects. The mosquito repellents from various sources were examined and plant repellents, researchers frequently exaggerate toxicity of the mentioned compound, alleging that it poses a threat to human health or even the environment and reported by recent studies. The aim of the research article, the historical developmental strategies of synthetics and natural and those acts on certain targets as repellent property, target discovery aims to identify and validate appropriate pharmacological targets for therapeutic interventions and establishment of correlations between the molecule and its potency as repellent using various physicochemical parameters and in silico studies. From this study proved that some of the natural compounds were potent in comparison with the some of the standard insect repellents and the paradigm offers a wide variety of prospects that will fasten the lead molecular modifications influences the novel targets and ultimately result in the optimization of the molecular properties by considering the all the methodologies leads to design novel molecules.
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