多光谱法和分子对接模拟法研究茶碱和胃蛋白酶的相互作用

王晓霞^1,^2,^*, 马力通^1,², 孙吉盛¹, 聂智华³, 赛华征¹, 成建国¹, 段建国¹

Study on the Interaction Between Theophylline and Pepsin by Multispectral and Molecular Docking Simulation

WANG Xiao-xia^1,^2,^*, MA Li-tong^1,², SUN Ji-sheng¹, NIE Zhi-hua³, SAI Hua-zheng¹, CHENG Jian-guo¹, DUAN Jian-guo¹

TPL和PEP结合的分子对接结构模型图 (a): TPL和PEP的分子对接模拟图; (b): TPL和PEP的飘带状分子对接模拟图; (c): TPL和PEP的氨基酸残基的2D/3D示意图