S/R两种构型尼古丁与溶菌酶作用机理的研究  

Study on the interaction mechanism between S/R -nicotine and lysozyme

作　　者：杨继 高峄涵 刘春波 唐石云 朱瑞芝 向能军 赵鲁丹 孙巧媚 李晖[3] 蔡炳彪 刘志华 YANG Ji;GAO Yi-han;LIU Chun-bo;TANG Shi-yun;ZHU Rui-zhi;XIANG Neng-jun;ZHAO Lu-dan;SUN Qiao-mei;LI Hui;CAI Bing-biao;LIU Zhi-hua(R&D Center of China Tobacco Yunnan Industrial Co.,Ltd.,Kunming 650231,China;Shanghai New Tobacco Product Research Institute.Xiupu Road 3733,Shanghai 201315,China;School of Chemical Eng.,Sichuan Univ.,Chengdu 610065,China)

机构地区：[1]云南中烟工业有限责任公司技术中心,云南昆明650231 [2]上海新型烟草制品研究院有限公司,上海201315 [3]四川大学化学工程学院,四川成都610065

出　　处：《化学研究与应用》2021年第8期1456-1464,共9页Chemical Research and Application

基　　金：中国烟草总公司重大专项(110202001007,XX-03)资助;中国烟草总公司重大专项110201901002,XX-02资助;云南中烟工业公司科技开发计划项目(2019XY02)资助;云南中烟工业公司科技开发计划项目(2020YL03)资助;云南中烟工业公司科技开发计划项目(2018XY04)资助。

摘　　要：利用分子光谱法和计算机模拟技术,探究了S/R两种构型尼古丁与溶菌酶的结合作用机理。研究结果显示,S构型和R构型均以静态猝灭方式猝灭溶菌酶的荧光,且可以自发地与溶菌酶结合,氢键和范德华力是维系结合的主要作用力。不同的是,虽然S/R两种构型尼古丁与溶菌酶均有一个主要的结合位点,但R构型结合能力远强于S构型;两种构型均可以使溶菌酶的二级结构发生变化,诱导其Trp和Tyr残基周围微环境变化,但R构型尼古丁的影响更为显著。本研究结果,对评估尼古丁对口腔环境的影响具有指导意义,并对其安全性评价提供一定参考。The mechanism of the interaction between S/R -nicotine and lysozyme were explored through molecular spectroscopy and computer simulation techniques.The results indicated that both S -nicotine and R -nicotine quenched the fluorescence of lysozyme by a static quenching mechanism,and could spontaneously combine with lysozyme.Hydrogen bond and van der Waals force were the main forces to maintain the combination.The difference was that although there was a major binding site between S/R -nicotine and lysozyme,the binding ability of R -nicotine was much stronger than that of S -nicotine;the combination of S/R -nicotine both changed the secondary structure of lysozyme,induced changes in the microenvironment around Trp and Tyr residues,and the effect of R -nicotine was more significant.The results of this study have guiding significance forevaluating the effect of nicotine on oral environment,and provide important references for its safety evaluation.

关 键 词：S/R两种构型尼古丁 溶菌酶 作用机理 分子光谱法 分子对接 

分 类 号：O657.3[理学—分析化学]