F. Zheng

发表

Theoretical Determination of Two Structural Forms of the Active Site in Cadmium-Containing Phosphotriesterases

R. Ornstein, F. Zheng, ‡. A. Chang-Guo Zhan, 2002 .

Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase.

Fang Zheng, Chang-Guo Zhan, C. Zhan, 2009, Biophysical journal.

Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches.

C. Zhan, F. Zheng, Max Zhan, 2014, Bioorganic & medicinal chemistry.

Computational neural network analysis of the affinity of lobeline and tetrabenazine analogs for the vesicular monoamine transporter-2.

Fang Zheng, Chang-Guo Zhan, L. Dwoskin, 2007, Bioorganic & medicinal chemistry.

Development of a novel prostate apoptosis response-4 (Par-4) protein entity with an extended duration of action for therapeutic treatment of cancer.

V. Rangnekar, C. Zhan, F. Zheng, 2019, Protein engineering, design & selection : PEDS.

Selective inhibitors of human mPGES-1 from structure-based computational screening.

C. Zhan, F. Zheng, Yaxia Yuan, 2017, Bioorganic & medicinal chemistry letters.

QSAR modeling of mono- and bis-quaternary ammonium salts that act as antagonists at neuronal nicotinic acetylcholine receptors mediating dopamine release.

L. Dwoskin, P. Crooks, J. Schmitt, 2006, Bioorganic & medicinal chemistry.

Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of “hunger hormone” ghrelin

C. Zhan, F. Zheng, Yaxia Yuan, 2016, Scientific Reports.

Computational Modeling of Solvent Effects on Protein-Ligand Interactions Using Fully Polarizable Continuum Model and Rational Drug Design

C. Zhan, F. Zheng, 2013 .

Clinical data mining reveals analgesic effects of lapatinib in cancer patients

C. Zhan, F. Zheng, Shuo Zhou, 2021, Scientific Reports.

Structure-based discovery of mPGES-1 inhibitors suitable for preclinical testing in wild-type mice as a new generation of anti-inflammatory drugs

C. Zhan, F. Zheng, Yaxia Yuan, 2018, Scientific Reports.

3-26-2018 Structure-Based Discovery of mPGES-1 Inhibitors Suitable for Preclinical Testing in Wild-Type Mice as a New Generation of Anti-Inflammatory Drugs

Shurong, C. Zhan, F. Zheng, 2019 .

Theoretical Studies of Photoelectron Spectra of SO42-(H2O)n Clusters and the Extrapolation to Bulk Solution

C. Zhan, D. Dixon, F. Zheng, 2003 .

Rational design of an enzyme mutant for anti-cocaine therapeutics

Fang Zheng, Chang-Guo Zhan, C. Zhan, 2008, J. Comput. Aided Mol. Des..

Recovery of dopaminergic system after cocaine exposure and impact of a long‐acting cocaine hydrolase

C. Zhan, F. Zheng, Xirong Zheng, 2022, Addiction biology.

Development of a Highly Efficient Long-Acting Cocaine Hydrolase Entity to Accelerate Cocaine Metabolism.

Zhenyu Jin, C. Zhan, F. Zheng, 2022, Bioconjugate chemistry.

Cocaine hydrolase blocks cocaine‐induced dopamine transporter trafficking to the plasma membrane

C. Zhan, F. Zheng, Kyungbo Kim, 2021, Addiction biology.

Cebranopadol reduces cocaine self-administration in male rats: Dose, treatment and safety consideration

C. Zhan, F. Zheng, Ting Zhang, 2020, Neuropharmacology.

Actions of Butyrylcholinesterase Against Cocaine

C. Zhan, F. Zheng, 2017 .

Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase.

C. Zhan, F. Zheng, D. Landry, 2003, Journal of the American Chemical Society.

Improved Prediction of Blood–Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints

Fang Zheng, Chang-Guo Zhan, Yaxia Yuan, 2018, The AAPS Journal.

In vivo characterization of toxicity of norcocaethylene and norcocaine identified as the most toxic cocaine metabolites in male mice.

C. Zhan, F. Zheng, Xirong Zheng, 2019, Drug and alcohol dependence.

QSAR study on maximal inhibition (Imax) of quaternary ammonium antagonists for S-(-)-nicotine-evoked dopamine release from dopaminergic nerve terminals in rat striatum.

L. Dwoskin, P. Crooks, C. Zhan, 2009, Bioorganic & medicinal chemistry.

Computational neural network analysis of the affinity of N-n-alkylnicotinium salts for the alpha4beta2* nicotinic acetylcholine receptor.

L. Dwoskin, P. Crooks, C. Zhan, 2009, Journal of enzyme inhibition and medicinal chemistry.

Modeling of Pharmacokinetics of Cocaine in Human Reveals the Feasibility for Development of Enzyme Therapies for Drugs of Abuse

Fang Zheng, Chang-Guo Zhan, C. Zhan, 2012, PLoS Comput. Biol..

Clinical potential of a rationally engineered enzyme for treatment of cocaine dependence: Long-lasting blocking of the psychostimulant, discriminative stimulus, and reinforcing effects of cocaine

C. Zhan, F. Zheng, Jing Deng, 2020, Neuropharmacology.

Development of Fc-Fused Cocaine Hydrolase for Cocaine Addiction Treatment: Catalytic and Pharmacokinetic Properties

C. Zhan, F. Zheng, W. Cui, 2018, The AAPS Journal.

Effectiveness of a Cocaine Hydrolase for Cocaine Toxicity Treatment in Male and Female Rats

Zhenyu Jin, C. Zhan, F. Zheng, 2017, The AAPS Journal.

Clinical Potential of an Enzyme-based Novel Therapy for Cocaine Overdose

Zhenyu Jin, C. Zhan, F. Zheng, 2017, Scientific Reports.

Metabolic Enzymes of Cocaine Metabolite Benzoylecgonine.

C. Zhan, F. Zheng, Max Zhan, 2016, ACS chemical biology.

Reply to Curry and Coombs: Benzoic acid is formed predominantly from the benzoyl ester hydrolysis in the presence of cocaine hydrolase

C. Zhan, F. Zheng, 2016, Proceedings of the National Academy of Sciences.

Effects of a cocaine hydrolase engineered from human butyrylcholinesterase on metabolic profile of cocaine in rats.

C. Zhan, F. Zheng, Ziyuan Zhou, 2016, Chemico-biological interactions.

Kinetic characterization of high-activity mutants of human butyrylcholinesterase for the cocaine metabolite norcocaine.

C. Zhan, F. Zheng, Max Zhan, 2014, The Biochemical journal.

Kinetic characterization of human butyrylcholinesterase mutants for the hydrolysis of cocaethylene.

C. Zhan, F. Zheng, Max Zhan, 2014, The Biochemical journal.

Preparation and in vivo characterization of a cocaine hydrolase engineered from human butyrylcholinesterase for metabolizing cocaine.

Zhenyu Jin, C. Zhan, H. Tai, 2013, The Biochemical journal.

Structure-and-mechanism-based design and discovery of therapeutics for cocaine overdose and addiction.

C. Zhan, F. Zheng, 2008, Organic & biomolecular chemistry.

Design of high-activity mutants of human butyrylcholinesterase against (-)-cocaine: structural and energetic factors affecting the catalytic efficiency.

C. Zhan, F. Zheng, Wenchao Yang, 2010, Biochemistry.

Free energy perturbation simulation on transition states and high-activity mutants of human butyrylcholinesterase for (-)-cocaine hydrolysis.

D. Gao, C. Zhan, F. Zheng, 2010, The journal of physical chemistry. B.

Systematic Structure-Based Virtual Screening Approach to Antibody Selection and Design of a Humanized Antibody against Multiple Addictive Opioids without Affecting Treatment Agents Naloxone and Naltrexone.

Zhenyu Jin, C. Zhan, F. Zheng, 2020, ACS chemical neuroscience.

Band Structure and Density of States of NaxWO3

C. Zhan, F. Zheng, 1993 .

Nicotine has no significant cytoprotective activity against SARS-CoV-2 infection

C. Zhan, F. Zheng, R. Perera, 2022, PloS one.

Quantum chemical definition and calculation of oxidation number

C. Zhan, F. Zheng, Guang-xian Xu, 1994 .

Design, synthesis and interaction at the vesicular monoamine transporter-2 of lobeline analogs: potential pharmacotherapies for the treatment of psychostimulant abuse.

Ashish P. Vartak, L. Dwoskin, P. Crooks, 2011, Current topics in medicinal chemistry.

Modeling subtype-selective agonists binding with alpha4beta2 and alpha7 nicotinic acetylcholine receptors: effects of local binding and long-range electrostatic interactions.

L. Dwoskin, P. Crooks, C. Zhan, 2006, Journal of medicinal chemistry.

Structure-based virtual screening leading to discovery of highly selective butyrylcholinesterase inhibitors with solanaceous alkaloid scaffolds.

C. Zhan, F. Zheng, Yaxia Yuan, 2019, Chemico-biological interactions.

Calculation of the maximum bond order

C. Zhan, F. Zheng, Qiong-Lin Wang, 1990 .

An improved iterative maximum overlap approximation method

C. Zhan, F. Zheng, 1990 .

Improving the inhibitory activity of arylidenaminoguanidine compounds at the N-methyl-D-aspartate receptor complex from a recursive computational-experimental structure-activity relationship study.

P. Crooks, F. Zheng, J. Littleton, 2013, Bioorganic & medicinal chemistry.

Substrate selectivity of high-activity mutants of human butyrylcholinesterase.

C. Zhan, F. Zheng, Wenchao Yang, 2013, Organic & biomolecular chemistry.

Recombinant Production and Characterization of Par-4/SAC

C. Zhan, F. Zheng, 2021, Tumor Suppressor Par-4.

Plant expression of cocaine hydrolase-Fc fusion protein for treatment of cocaine abuse

C. Zhan, F. Zheng, Guojun Wang, 2016, BMC Biotechnology.

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

C. Zhan, F. Zheng, Max Zhan, 2020, Organic & biomolecular chemistry.

Reengineering of Albumin-Fused Cocaine Hydrolase CocH1 (TV-1380) to Prolong Its Biological Half-Life

Zhenyu Jin, C. Zhan, F. Zheng, 2019, The AAPS Journal.

Kinetic characterization of cholinesterases and a therapeutically valuable cocaine hydrolase for their catalytic activities against heroin and its metabolite 6-monoacetylmorphine.

Zhenyu Jin, C. Zhan, F. Zheng, 2018, Chemico-biological interactions.

Cocaine Hydrolases Designed from Butyrylcholinesterase

C. Zhan, F. Zheng, 2016 .

Kinetic characterization of a cocaine hydrolase engineered from mouse butyrylcholinesterase.

S. Brimijoin, C. Zhan, F. Zheng, 2015, The Biochemical journal.

Long-acting cocaine hydrolase for addiction therapy

Zhenyu Jin, C. Zhan, F. Zheng, 2015, Proceedings of the National Academy of Sciences.

Most efficient cocaine hydrolase designed by virtual screening of transition states.

Fang Zheng, Chang-Guo Zhan, D. Gao, 2008, Journal of the American Chemical Society.

A highly efficient cocaine detoxifying enzyme obtained by computational design

C. Zhan, F. Zheng, Wenchao Yang, 2014, Nature Communications.

Binding structures and energies of the human neonatal Fc receptor with human Fc and its mutants by molecular modeling and dynamics simulations.

C. Zhan, F. Zheng, Xiaoqin Huang, 2013, Molecular bioSystems.

Blocking drug activation as a therapeutic strategy to attenuate acute toxicity and physiological effects of heroin

C. Zhan, F. Zheng, Kyungbo Kim, 2018, Scientific Reports.

Gender differences in cocaine‐induced hyperactivity and dopamine transporter trafficking to the plasma membrane

C. Zhan, F. Zheng, Xirong Zheng, 2022, Addiction biology.

Human butyrylcholinesterase-cocaine binding pathway and free energy profiles by molecular dynamics and potential of mean force simulations.

C. Zhan, F. Zheng, Xiaoqin Huang, 2011, The journal of physical chemistry. B.

Catalytic activities of a highly efficient cocaine hydrolase for hydrolysis of biologically active cocaine metabolites norcocaine and benzoylecgonine

C. Zhan, F. Zheng, Linyue Shang, 2023, Scientific Reports.

Structure-Based Design and Discovery of a Long-Acting Cocaine Hydrolase Mutant with Improved Binding Affinity to Neonatal Fc Receptor for Treatment of Cocaine Abuse

Zhenyu Jin, C. Zhan, F. Zheng, 2020, The AAPS Journal.

Development of a long-acting Fc-fused cocaine hydrolase with improved yield of protein expression.

C. Zhan, F. Zheng, Ziyuan Zhou, 2019, Chemico-biological interactions.

A quantitative LC–MS/MS method for simultaneous determination of cocaine and its metabolites in whole blood

C. Zhan, F. Zheng, Ziyuan Zhou, 2017, Journal of pharmaceutical and biomedical analysis.

Are pharmacokinetic approaches feasible for treatment of cocaine addiction and overdose?

C. Zhan, F. Zheng, 2012, Future medicinal chemistry.

Design, Preparation, and Characterization of High-Activity Mutants of Human Butyrylcholinesterase Specific for Detoxification of Cocaine

C. Zhan, H. Tai, F. Zheng, 2011, Molecular Pharmacology.

Enzyme-therapy approaches for the treatment of drug overdose and addiction.

C. Zhan, F. Zheng, 2011, Future medicinal chemistry.

Recent progress in protein drug design and discovery with a focus on novel approaches to the development of anti-cocaine medications.

C. Zhan, F. Zheng, 2009, Future medicinal chemistry.

Reaction pathway and free energy profile for prechemical reaction step of human butyrylcholinesterase-catalyzed hydrolysis of (-)-cocaine by combined targeted molecular dynamics and potential of mean force simulations.

C. Zhan, F. Zheng, Yongmei Pan, 2010, Journal of Physical Chemistry B.

Effects of alcohol on metabolism and toxicity of cocaine in rats

C. Zhan, F. Zheng, Xirong Zheng, 2022, Toxicology reports.

First-principles determination of molecular conformations of indolizidine (−)-235B′ in solution

L. Dwoskin, P. Crooks, C. Zhan, 2009, Theoretical chemistry accounts.

High Activity Mutants of Cocaine Esterase for Cocaine Hydrolysis

C. Zhan, F. Zheng, L. Fang, 2018 .

Rational Design, Preparation, and Characterization of a Therapeutic Enzyme Mutant with Improved Stability and Function for Cocaine Detoxification

C. Zhan, F. Zheng, D. Rodgers, 2014, ACS chemical biology.

Potential anti-obesity effects of a long-acting cocaine hydrolase.

C. Zhan, F. Zheng, Xirong Zheng, 2016, Chemico-biological interactions.

DREAM-in-CDM Approach and Identification of a New Generation of Anti-inflammatory Drugs Targeting mPGES-1

C. Zhan, F. Zheng, Yaxia Yuan, 2020, Scientific Reports.

In Silico Observation of the Conformational Opening of the Glutathione-Binding Site of Microsomal Prostaglandin E2 Synthase-1

Yaxia Yuan, Kai Ding, Chang-Guo Zhan, 2019, J. Chem. Inf. Model..

Effects of Cebranopadol on Cocaine-induced Hyperactivity and Cocaine Pharmacokinetics in Rats

C. Zhan, F. Zheng, Linyue Shang, 2020, Scientific Reports.

Catalytic Reaction Mechanism for Drug Metabolism in Human Carboxylesterase-1: Cocaine Hydrolysis Pathway.

C. Zhan, F. Zheng, Jianzhuang Yao, 2018, Molecular pharmaceutics.

Design, synthesis, and discovery of 5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-triones and related derivatives as novel inhibitors of mPGES-1.

C. Zhan, F. Zheng, Yaxia Yuan, 2018, Bioorganic & medicinal chemistry letters.

Theoretical studies of reaction pathways and energy barriers for alkaline hydrolysis of phosphotriesterase substrates paraoxon and related toxic phosphofluoridate nerve agents

Fang Zheng, Chang-Guo Zhan, Rick L. Ornstein, 2001 .

Amino-acid mutations to extend the biological half-life of a therapeutically valuable mutant of human butyrylcholinesterase.

C. Zhan, F. Zheng, L. Fang, 2014, Chemico-biological interactions.

PEGylation but not Fc-fusion improves in vivo residence time of a thermostable mutant of bacterial cocaine esterase.

C. Zhan, F. Zheng, L. Fang, 2019, Bioconjugate chemistry.

Maximum overlap symmetry orbitals

C. Zhan, F. Zheng, 1991 .

Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations.

C. Zhan, F. Zheng, Keli Han, 2016, Chemico-biological interactions.

Efficient Cocaine Degradation by Cocaine Esterase-Loaded Red Blood Cells

C. Zhan, F. Zheng, M. Magnani, 2020, Frontiers in Physiology.

Dimerization of human butyrylcholinesterase expressed in bacterium for development of a thermally stable bioscavenger of organophosphorus compounds.

C. Zhan, F. Zheng, Shuo Zhou, 2019, Chemico-biological interactions.

Reaction pathway for cocaine hydrolase-catalyzed hydrolysis of (+)-cocaine

Y. Yao, C. Zhan, F. Zheng, 2015, Theoretical Chemistry Accounts.

Modeling Subtype-Selective Agonists Binding with α4β2 and α7 Nicotinic Acetylcholine Receptors: Effects of Local Binding and Long-Range Electrostatic Interactions

Fang Zheng, Peter A. Crooks, Chang-Guo Zhan, 2006 .

Development of Fc-Fused Cocaine Hydrolase for Cocaine Addiction Treatment: Catalytic and Pharmacokinetic Properties

C. Zhan, F. Zheng, W. Cui, 2018, The AAPS Journal.

A model of glycosylated human butyrylcholinesterase.

C. Zhan, F. Zheng, L. Fang, 2014, Molecular bioSystems.

Catalytic activities of a cocaine hydrolase engineered from human butyrylcholinesterase against (+)- and (-)-cocaine.

C. Zhan, F. Zheng, Wenchao Yang, 2013, Chemico-biological interactions.

Cocaine esterase-cocaine binding process and the free energy profiles by molecular dynamics and potential of mean force simulations.

C. Zhan, F. Zheng, Xiaoqin Huang, 2012, The journal of physical chemistry. B.

Modeling binding modes of alpha7 nicotinic acetylcholine receptor with ligands: the roles of Gln117 and other residues of the receptor in agonist binding.

R. Papke, C. Zhan, F. Zheng, 2008, Journal of medicinal chemistry.

"Recent progress in the study of cocaine-metabolizing enzymes demonstrates that enzyme-therapy approaches using appropriately designed enzymes show promise for the treatment of drug overdose and addiction."

C. Zhan, F. Zheng, 2011 .

Analgesic effects of a highly selective mPGES-1 inhibitor

C. Zhan, F. Zheng, Kai Ding, 2023, Scientific Reports.

Modeling multiple species of nicotine and deschloroepibatidine interacting with alpha4beta2 nicotinic acetylcholine receptor: from microscopic binding to phenomenological binding affinity.

Fang Zheng, Chang-Guo Zhan, L. Dwoskin, 2005, Journal of the American Chemical Society.

Computational neural network analysis of the affinity of N-n-alkylnicotinium salts for the α4β2* nicotinic acetylcholine receptor

Fang Zheng, Peter A. Crooks, Chang-Guo Zhan, 2009 .

Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- Structure

C. Zhan, D. Dixon, F. Zheng, 2002 .

Oligomerization and Catalytic Parameters of Human UDP-Glucuronosyltransferase 1A10: Expression and Characterization of the Recombinant Protein

C. Zhan, F. Zheng, Kyungbo Kim, 2018, Drug Metabolism and Disposition.

Design, Preparation, and Characterization of High-Activity Mutants of Human Butyrylcholinesterase Specific for Detoxification of Cocaine

C. Zhan, H. Tai, F. Zheng, 2011, Molecular Pharmacology.

Most efficient cocaine hydrolase designed by virtual screening of transition states.

D. Gao, C. Zhan, H. Tai, 2008, Journal of the American Chemical Society.

Long-lasting blocking of interoceptive effects of cocaine by a highly efficient cocaine hydrolase in rats

F. Zheng, Huimei Wei, Zhenyu Jin, 2024, Scientific reports.

THE CANONICAL ORTHOGONALIZATION OF AO BASIS SET AND BLOCK DIAGONALIZATION OF THE HAMILTONIAN MATRIX

C. Zhan, F. Zheng, 1991 .

Structure-Based Design and Discovery of a Long-Acting Cocaine Hydrolase Mutant with Improved Binding Affinity to Neonatal Fc Receptor for Treatment of Cocaine Abuse

Zhenyu Jin, C. Zhan, F. Zheng, 2020, The AAPS Journal.

Effectiveness of a Cocaine Hydrolase for Cocaine Toxicity Treatment in Male and Female Rats

Zhenyu Jin, C. Zhan, F. Zheng, 2017, The AAPS Journal.