【摘要】：蛋白質(zhì)-蛋白質(zhì)相互作用的作用機(jī)制對(duì)生命科學(xué)研究有著重要意義。目前已有的方法多偏向于氨基酸殘基的偏好性研究,并沒(méi)有給出對(duì)應(yīng)的殘基組合的空間信息,而這些空間信息對(duì)設(shè)計(jì)蛋白質(zhì)-蛋白質(zhì)相互作用至關(guān)重要。通過(guò)深入挖掘已有的蛋白質(zhì)相互作用模式,并提煉殘基相互作用對(duì)的偏好和相對(duì)位置信息,本文提出了一種全新的既能表征三元?dú)埢M合的偏好,又能給出三元?dú)埢M合對(duì)的空間信息的"三棱柱"模型。該模型主要從偏好因子、氨基酸組成和蛋白質(zhì)二級(jí)結(jié)構(gòu)分布等多個(gè)方面對(duì)三元?dú)埢M合對(duì)進(jìn)行分析。此外,還將該模型應(yīng)用于PD-1/PD-L2蛋白質(zhì)的界面研究。通過(guò)分析PD-1/PD-L2蛋白質(zhì)的界面殘基組合對(duì)與預(yù)測(cè)殘基組合對(duì)在組成和空間信息上的差異,給出了具體的殘基突變建議,從而為蛋白質(zhì)-蛋白質(zhì)相互作用的設(shè)計(jì)提供了一種新的方法。
[Abstract]:The mechanism of protein-protein interaction is of great significance to life sciences research. Most of the existing methods focus on the preference of amino acid residues, and do not give the corresponding spatial information of residue combinations. These spatial information is very important for designing protein-protein interaction. In this paper, we present a new tri-prism model which can not only characterize the preference of ternary residue combinations, but also give the spatial information of ternary residue combinations. In addition, the model was applied to study the interface of PD-1/PD-L2 protein. The differences in composition and spatial information between PD-1/PD-L2 protein interfacial residue combination pairs and predicted residue combination pairs were analyzed, and specific suggestions for residue mutation were given. The design of white matter protein interaction provides a new method.
【作者單位】： 華東理工大學(xué)信息科學(xué)與工程學(xué)院;華東理工大學(xué)藥學(xué)院上海市新藥設(shè)計(jì)重點(diǎn)實(shí)驗(yàn)室;
【基金】：國(guó)家重點(diǎn)研發(fā)計(jì)劃資助課題(2016YFA0502304) 中央高�；究蒲袠I(yè)務(wù)費(fèi)(222201717024)
【分類(lèi)號(hào)】：R914

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本文編號(hào)：2202740