来氟米特与胶原相互作用类型的化学量子测定及其对关节炎的影响

Moisés Briteño Vázquez, D. Martínez, Verónica Rodríguez Soria, Laura Contreras Mioni, Eva Martínez, M. Pérez
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引用次数: 0

摘要

近年来,研究人员对来氟米特(LEF)和其他药物治疗类风湿性关节炎(RA)的临床疗效和安全性进行了评价。本工作的目的是化学量子演算和确定LEF与胶原蛋白的相互作用类型及其对关节炎的影响。我们获得了美国国家生物技术信息中心(NCBI)关于胶原蛋白的信息。在PubChem页面上得到了LEF的公式。我们使用hyperchem软件进行量子计算。这些计算是在我们已经发表的其他文章中做的。我们得出结论,计算出的40个相互作用中有13个是显著的。这13种相互作用表明,其中只有2种是氧化性的,其余11种是还原性的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Chemical-quantum determination of the interaction type of leflunomide and collagen and its influence on arthritis
In recent years, researchers have evaluated the clinical efficacy and safety of Leflunomide (LEF) and other medications for the treatment of rheumatoid arthritis (RA). The objective of this work was chemical-quantum calculus and determination of the interaction type of LEF and collagen and its influence on arthritis. We obtained the information about the collagen of The National Center for Biotechnology Information (NCBI). It was obtained the formula of the LEF on the page of PubChem. The quantum calculations we carry out with the hyperchem software. These calculations were made in other articles already published by us. We concluded that 13 interactions of 40 calculated are significant. These 13 interactions show that only two of them are oxidant and the other 11 are reductive.
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