Chen Xiabin, Huang Xiaoqin, Geng Liyi, Xue Liu, Hou Shurong, Zheng Xirong, Brimijoin Stephen, Zheng Fang, Zhan Chang-Guo
*Molecular Modeling and Biopharmaceutical Center and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, U.S.A.
†Department of Molecular Pharmacology and Experimental Therapeutics, Mayo Clinic, Rochester, MN 55905, U.S.A.
Biochem J. 2015 Mar 1;466(2):243-51. doi: 10.1042/BJ20141266.
Mouse butyrylcholinesterase (mBChE) and an mBChE-based cocaine hydrolase (mCocH, i.e. the A¹⁹⁹S/S²²⁷A/S²⁸⁷G/A³²⁸W/Y³³²G mutant) have been characterized for their catalytic activities against cocaine, i.e. naturally occurring (-)-cocaine, in comparison with the corresponding human BChE (hBChE) and an hBChE-based cocaine hydrolase (hCocH, i.e. the A¹⁹⁹S/F²²⁷A/S²⁸⁷G/A³²⁸W/Y³³²G mutant). It has been demonstrated that mCocH and hCocH have improved the catalytic efficiency of mBChE and hBChE against (-)-cocaine by ~8- and ~2000-fold respectively, although the catalytic efficiencies of mCocH and hCocH against other substrates, including acetylcholine (ACh) and butyrylthiocholine (BTC), are close to those of the corresponding wild-type enzymes mBChE and hBChE. According to the kinetic data, the catalytic efficiency (k(cat)/K(M)) of mBChE against (-)-cocaine is comparable with that of hBChE, but the catalytic efficiency of mCocH against (-)-cocaine is remarkably lower than that of hCocH by ~250-fold. The remarkable difference in the catalytic activity between mCocH and hCocH is consistent with the difference between the enzyme-(-)-cocaine binding modes obtained from molecular modelling. Further, both mBChE and hBChE demonstrated substrate activation for all of the examined substrates [(-)-cocaine, ACh and BTC] at high concentrations, whereas both mCocH and hCocH showed substrate inhibition for all three substrates at high concentrations. The amino-acid mutations have remarkably converted substrate activation of the enzymes into substrate inhibition, implying that the rate-determining step of the reaction in mCocH and hCocH might be different from that in mBChE and hBChE.
已对小鼠丁酰胆碱酯酶(mBChE)和基于mBChE的可卡因水解酶(mCocH,即A¹⁹⁹S/S²²⁷A/S²⁸⁷G/A³²⁸W/Y³³²G突变体)针对可卡因(即天然存在的(-)-可卡因)的催化活性进行了表征,并与相应的人丁酰胆碱酯酶(hBChE)和基于hBChE的可卡因水解酶(hCocH,即A¹⁹⁹S/F²²⁷A/S²⁸⁷G/A³²⁸W/Y³³²G突变体)进行了比较。已证明,mCocH和hCocH分别将mBChE和hBChE针对(-)-可卡因的催化效率提高了约8倍和约2000倍,尽管mCocH和hCocH针对其他底物(包括乙酰胆碱(ACh)和丁酰硫代胆碱(BTC))的催化效率与相应的野生型酶mBChE和hBChE相近。根据动力学数据,mBChE针对(-)-可卡因的催化效率(k(cat)/K(M))与hBChE相当,但mCocH针对(-)-可卡因的催化效率比hCocH低约250倍。mCocH和hCocH之间催化活性的显著差异与分子建模得到的酶-(-)-可卡因结合模式的差异一致。此外,mBChE和hBChE在高浓度下对所有检测的底物[(-)-可卡因、ACh和BTC]均表现出底物激活作用,而mCocH和hCocH在高浓度下对所有三种底物均表现出底物抑制作用。氨基酸突变已将酶的底物激活显著转变为底物抑制,这意味着mCocH和hCocH中反应的速率决定步骤可能与mBChE和hBChE中的不同。