Catalytic activities of cocaine hydrolases against the most toxic cocaine metabolite norcocaethylene.


Journal

Organic & biomolecular chemistry
ISSN: 1477-0539
Titre abrégé: Org Biomol Chem
Pays: England
ID NLM: 101154995

Informations de publication

Date de publication:
11 03 2020
Historique:
pubmed: 27 2 2020
medline: 11 6 2020
entrez: 27 2 2020
Statut: ppublish

Résumé

A majority of cocaine users also consume alcohol. The concurrent use of cocaine and alcohol produces the pharmacologically active metabolites cocaethylene and norcocaethylene, in addition to norcocaine. Both cocaethylene and norcocaethylene are more toxic than cocaine itself. Hence, a truly valuable cocaine-metabolizing enzyme for cocaine abuse/overdose treatment should be effective for the hydrolysis of not only cocaine, but also its metabolites norcocaine, cocaethylene, and norcocaethylene. However, there has been no report on enzymes capable of hydrolyzing norcocaethylene (the most toxic metabolite of cocaine). The catalytic efficiency parameters (kcat and KM) of human butyrylcholinesterase (BChE) and two mutants (known as cocaine hydrolases E14-3 and E12-7) against norcocaethylene have been characterized in the present study for the first time, and they are compared with those against cocaine. According to the obtained kinetic data, wild-type human BChE showed a similar catalytic efficiency against norcocaethylene (kcat = 9.5 min-1, KM = 11.7 μM, and kcat/KM = 8.12 × 105 M-1 min-1) to that against (-)-cocaine (kcat = 4.1 min-1, KM = 4.5 μM, and kcat/KM = 9.1 × 105 M-1 min-1). E14-3 and E12-7 showed an improved catalytic activity against norcocaethylene compared to wild-type BChE. E12-7 showed a 39-fold improved catalytic efficiency against norcocaethylene (kcat = 210 min-1, KM = 6.6 μM, and kcat/KM = 3.18 × 107 M-1 min-1). It has been demonstrated that E12-7 as an exogenous enzyme can efficiently metabolize norcocaethylene in rats.

Identifiants

pubmed: 32101217
doi: 10.1039/c9ob02762a
pmc: PMC7362898
mid: NIHMS1572182
doi:

Substances chimiques

Recombinant Proteins 0
norcocaethylene 137220-02-1
Carboxylic Ester Hydrolases EC 3.1.1.-
BCHE protein, human EC 3.1.1.8
Butyrylcholinesterase EC 3.1.1.8
cocaine hydrolase EC 3.1.1.8
Cocaine I5Y540LHVR

Types de publication

Journal Article Research Support, N.I.H., Extramural

Langues

eng

Sous-ensembles de citation

IM

Pagination

1968-1977

Subventions

Organisme : NIDA NIH HHS
ID : UH2 DA041115
Pays : United States
Organisme : NIDA NIH HHS
ID : R01 DA035552
Pays : United States
Organisme : NIDA NIH HHS
ID : UH3 DA041115
Pays : United States
Organisme : NIDA NIH HHS
ID : R01 DA025100
Pays : United States
Organisme : NIDA NIH HHS
ID : R01 DA032910
Pays : United States
Organisme : NIDA NIH HHS
ID : R01 DA013930
Pays : United States

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Auteurs

Xirong Zheng (X)

Molecular Modeling and Biopharmaceutical Center and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, USA. zhan@uky.edu fzhen2@uky.edu.

Xiabin Chen (X)

Molecular Modeling and Biopharmaceutical Center and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, USA. zhan@uky.edu fzhen2@uky.edu.

Ting Zhang (T)

Molecular Modeling and Biopharmaceutical Center and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, USA. zhan@uky.edu fzhen2@uky.edu.

Max Zhan (M)

Molecular Modeling and Biopharmaceutical Center and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, USA. zhan@uky.edu fzhen2@uky.edu.

Chang-Guo Zhan (CG)

Molecular Modeling and Biopharmaceutical Center and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, USA. zhan@uky.edu fzhen2@uky.edu.

Fang Zheng (F)

Molecular Modeling and Biopharmaceutical Center and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, USA. zhan@uky.edu fzhen2@uky.edu.

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Classifications MeSH