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刺五加PsbP基因的鉴定、适应性进化及分子动力学模拟

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目的 筛选刺五加Eleutherococcus senticosus中的PsbP基因(EsPsbP基因),分析其进化特征,研究EsPsbP蛋白与PsbQ蛋白的结合方式,探究其在不同光照下的表达量.方法 根据刺五加基因组数据筛选得到EsPsbP基因,并对其进行生物信息学、适应性进化分析和分子动力学模拟,根据转录组测序结果探究EsPsbP在不同光照下的表达量.结果 共筛选得到了16个EsPsbP基因并将其分为了A~I共9组.在刺五加种内与刺五加和龙牙楤木Aralia elata间共得到了21对共线性基因对,并且基因对的Ka/Ks均小于1.EsPsbP基因没有正选择位点.EsPsbP基因启动子中存在大量光响应元件、激素响应元件和干旱响应元件.分子动力学模拟发现PsbQ蛋白优先与A组的EsPsbP蛋白进行结合.转录组数据显示,不同光质照射后,有9个EsPsbP产生了差异表达.结论 刺五加的16条EsPsbP基因在进化中主要受到纯净选择,这有助于维持基因的稳定性.基因结构特征的分化可能导致EsPsbP与PsbQ蛋白结合能力及对光质变化反应的差异,这些特性可能与刺五加的生理适应及药材品质形成相关,为进一步研究其功能奠定了基础.
Identification,adaptive evolution and molecular dynamics simulation of PsbP gene of Eleutherococcus senticosus
Objective To screen the EsPsbP gene in Eleutherococcus senticosus,analyse its evolutionary characteristics,study the binding mode of EsPsbP protein and PsbQ protein,and explore its expression under different light. Methods The EsPsbP genes were screened and obtained based on the genomic data of E. senticosus and were subjected to bioinformatics,adaptive evolutionary analyses and molecular dynamics simulations,and the expression of EsPsbP under different light conditions was investigated based on the results of transcriptome sequencing. Results A total of 16 EsPsbP genes were screened and classified into nine groups,A—I. A total of 21 covariate gene pairs were obtained within E. senticosus and between E. senticosus and Aralia elata,and the Ka/Ks of the gene pairs were all less than 1. There was no positively selected site in EsPsbP gene,and a large number of light-responsive,hormone-responsive,and drought-responsive elements existed in the promoter of EsPsbP gene. Molecular dynamics simulations revealed that PsbQ proteins preferentially bound to EsPsbP proteins in group A. Transcriptomic data showed that nine EsPsbPs were differentially expressed after different light quality irradiation. Conclusion A total of 16 EsPsbP genes of E. senticosus have been subjected to predominantly pure selection during evolution,which has helped to maintain gene stability. The divergence of structural features of the genes may lead to differences in the binding capacity of EsPsbP and PsbQ proteins and the response to light quality changes,and these characteristics may be related to the physiological adaptations of E. senticosus and the formation of medicinal herb quality,which lays the foundation for further research on its function.

Eleutherococcus senticosus (Rupr. Et Maxim.) Maxim.PsbP geneadaptive evolutionmolecular dockingmolecular dynamics simulation

焦孟赢、李畅、赵雪颖、马嘉程、崔亚奇、刘鹏、刘颖硕、邢朝斌

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华北理工大学生命科学学院,河北 唐山 063210

华北理工大学冀唐学院,河北 唐山 063210

刺五加 PsbP基因 适应性进化 分子对接 分子动力学模拟

2025

中草药
天津药物研究院,中国药学会

中草药

北大核心
影响因子:1.632
ISSN:0253-2670
年,卷(期):2025.56(1)