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化学计量学在小分子-生物大分子相互作用研究中的应用:综述。

Chemometrics in investigation of small molecule-biomacromolecule interactions: A review.

机构信息

Research Center of Oils and Fats, Research Institute for Health Technology, Kermanshah University of Medical Sciences, Kermanshah, Iran.

出版信息

Int J Biol Macromol. 2021 Jun 30;181:478-493. doi: 10.1016/j.ijbiomac.2021.03.184. Epub 2021 Mar 30.

DOI:10.1016/j.ijbiomac.2021.03.184
PMID:33798569
Abstract

Chemometrics is chemical discipline in which mathematical and statistical methods are coupled with chemical data to extract useful information which cannot be extracted by the use of conventional methods. When experimental techniques are assisted by chemometric methods, very interesting studies will be performed which enable us to obtain valuable information about the system under our study. Chemico-biological interactions are very useful studies which are performed to obtain information about binding of small molecules with biological macromolecules. Recently, these studies have been assisted by chemometric methods to perform advanced studies which can help us to have a deep insight to them. Literature survey showed us that multivariate analysis of the chemico-biological interactions is becoming popular and nowadays, chemometricians are using multivariate chemometric methods for resolving chemico-biological interactions. This article focuses on the works published in the literature to provide a background for those who are interested to work in this field and finally, the results will be discussed and concluded.

摘要

化学计量学是一门将数学和统计学方法与化学数据相结合,以提取常规方法无法提取的有用信息的化学学科。当实验技术得到化学计量学方法的辅助时,可以进行非常有趣的研究,使我们能够获得有关我们研究中系统的有价值信息。化学生物相互作用是非常有用的研究,用于获取小分子与生物大分子结合的信息。最近,这些研究得到了化学计量学方法的辅助,以进行可以帮助我们深入了解它们的高级研究。文献调查表明,化学生物相互作用的多元分析正在变得流行,如今,化学计量学家正在使用多元化学计量学方法来解决化学生物相互作用问题。本文重点介绍了文献中发表的工作,为有兴趣在此领域工作的人提供了背景信息,最后对结果进行了讨论和总结。

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