Full name : Zhan Chang-Guo
First name : Chang-Guo
Mail : University of Kentucky\; Department of Pharmaceutical Sciences\; College of Pharmacy\; 789 South Limestone Street\; Lexington\; KY\; 40536
Zip Code :
City :
Country : USA
Email : zhan@uky.edu
Phone : +18593233943
Fax :
Website :
Directory :
Comment
| Title : In vitro and in vivo stability of a highly efficient long-acting cocaine hydrolase - Shang_2024_Sci.Rep_14_10952 |
| Author(s) : Shang L , Wei H , Deng J , Stewart MJ , LeSaint JE , Kyomuhangi A , Park S , Maul EC , Zhan CG , Zheng F |
| Ref : Sci Rep , 14 :10952 , 2024 |
| Abstract : |
| PubMedSearch : Shang_2024_Sci.Rep_14_10952 |
| PubMedID: 38740850 |
| Title : Long-lasting blocking of interoceptive effects of cocaine by a highly efficient cocaine hydrolase in rats - Wei_2024_Sci.Rep_14_927 |
| Author(s) : Wei H , LeSaint JE , Jin Z , Zhan CG , Zheng F |
| Ref : Sci Rep , 14 :927 , 2024 |
| Abstract : |
| PubMedSearch : Wei_2024_Sci.Rep_14_927 |
| PubMedID: 38195724 |
| Title : Human Butyrylcholinesterase Mutants for (-)-Cocaine Hydrolysis: A Correlation Relationship between Catalytic Efficiency and Total Hydrogen Bonding Energy with an Oxyanion Hole - Zheng_2023_J.Phys.Chem.B__ |
| Author(s) : Zheng F , Hou S , Xue L , Yang W , Zhan CG |
| Ref : J Phys Chem B , : , 2023 |
| Abstract : |
| PubMedSearch : Zheng_2023_J.Phys.Chem.B__ |
| PubMedID: 38063500 |
| Title : Recovery of dopaminergic system after cocaine exposure and impact of a long-acting cocaine hydrolase - Deng_2022_Addict.Biol_27_e13179 |
| Author(s) : Deng J , Zhang T , Zheng X , Shang L , Zhan CG , Zheng F |
| Ref : Addict Biol , 27 :e13179 , 2022 |
| Abstract : |
| PubMedSearch : Deng_2022_Addict.Biol_27_e13179 |
| PubMedID: 35754103 |
| Title : Development of a Highly Efficient Long-Acting Cocaine Hydrolase Entity to Accelerate Cocaine Metabolism - Zheng_2022_Bioconjug.Chem__ |
| Author(s) : Zheng F , Jin Z , Deng J , Chen X , Zheng X , Wang G , Kim K , Shang L , Zhou Z , Zhan CG |
| Ref : Bioconjug Chem , : , 2022 |
| Abstract : |
| PubMedSearch : Zheng_2022_Bioconjug.Chem__ |
| PubMedID: 35767675 |
| Title : Effects of alcohol on metabolism and toxicity of cocaine in rats - Shang_2022_Toxicol.Rep_9_1586 |
| Author(s) : Shang L , Zheng X , Zhang T , Deng J , Zhan CG , Zheng F |
| Ref : Toxicol Rep , 9 :1586 , 2022 |
| Abstract : |
| PubMedSearch : Shang_2022_Toxicol.Rep_9_1586 |
| PubMedID: 36518391 |
| Title : A plant-derived cocaine hydrolase prevents cocaine overdose lethality and attenuates cocaine-induced drug seeking behavior - Larrimore_2020_Prog.Neuropsychopharmacol.Biol.Psychiatry__109961 |
| Author(s) : Larrimore KE , Kannan L , Kendle RP , Jamal T , Barcus M , Stefanko K , Kilbourne J , Brimijoin S , Zhan CG , Neisewander J , Mor TS |
| Ref : Prog Neuropsychopharmacol Biological Psychiatry , :109961 , 2020 |
| Abstract : |
| PubMedSearch : Larrimore_2020_Prog.Neuropsychopharmacol.Biol.Psychiatry__109961 |
| PubMedID: 32387315 |
| Title : Catalytic activities of cocaine hydrolases against the most toxic cocaine metabolite norcocaethylene - Zheng_2020_Org.Biomol.Chem__ |
| Author(s) : Zheng X , Chen X , Zhang T , Zhan M , Zhan CG , Zheng F |
| Ref : Org Biomol Chem , : , 2020 |
| Abstract : |
| PubMedSearch : Zheng_2020_Org.Biomol.Chem__ |
| PubMedID: 32101217 |
| Title : Efficient Cocaine Degradation by Cocaine Esterase-Loaded Red Blood Cells - Rossi_2020_Front.Physiol_11_573492 |
| Author(s) : Rossi L , Pierige F , Agostini M , Bigini N , Termopoli V , Cai Y , Zheng F , Zhan CG , Landry DW , Magnani M |
| Ref : Front Physiol , 11 :573492 , 2020 |
| Abstract : |
| PubMedSearch : Rossi_2020_Front.Physiol_11_573492 |
| PubMedID: 33013487 |
| Title : Discovery of potent and selective butyrylcholinesterase inhibitors through the use of pharmacophore-based screening - Williams_2019_Bioorg.Med.Chem.Lett__126754 |
| Author(s) : Williams A , Zhou S , Zhan CG |
| Ref : Bioorganic & Medicinal Chemistry Lett , :126754 , 2019 |
| Abstract : |
| PubMedSearch : Williams_2019_Bioorg.Med.Chem.Lett__126754 |
| PubMedID: 31708262 |
| Title : Dimerization of human butyrylcholinesterase expressed in bacterium for development of a thermally stable bioscavenger of organophosphorus compounds - Cai_2019_Chem.Biol.Interact_13ChEPon_310_108756 |
| Author(s) : Cai Y , Zhou S , Stewart MJ , Zheng F , Zhan CG |
| Ref : Chemico-Biological Interactions , 310 :108756 , 2019 |
| Abstract : |
| PubMedSearch : Cai_2019_Chem.Biol.Interact_13ChEPon_310_108756 |
| PubMedID: 31325422 |
| Title : Development of a long-acting Fc-fused cocaine hydrolase with improved yield of protein expression - Chen_2019_Chem.Biol.Interact_13ChEPon_306_89 |
| Author(s) : Chen X , Deng J , Zheng X , Zhang J , Zhou Z , Wei H , Zhan CG , Zheng F |
| Ref : Chemico-Biological Interactions , 306 :89 , 2019 |
| Abstract : |
| PubMedSearch : Chen_2019_Chem.Biol.Interact_13ChEPon_306_89 |
| PubMedID: 30986387 |
| Title : Reengineering of Albumin-Fused Cocaine Hydrolase CocH1 (TV-1380) to Prolong Its Biological Half-Life - Cai_2019_AAPS.J_22_5 |
| Author(s) : Cai Y , Zhou S , Jin Z , Wei H , Shang L , Deng J , Zhan CG , Zheng F |
| Ref : AAPS J , 22 :5 , 2019 |
| Abstract : |
| PubMedSearch : Cai_2019_AAPS.J_22_5 |
| PubMedID: 31754920 |
| Title : Structure-based virtual screening leading to discovery of highly selective butyrylcholinesterase inhibitors with solanaceous alkaloid scaffolds - Zhou_2019_Chem.Biol.Interact_13ChEPon_308_372 |
| Author(s) : Zhou S , Yuan Y , Zheng F , Zhan CG |
| Ref : Chemico-Biological Interactions , 308 :372 , 2019 |
| Abstract : |
| PubMedSearch : Zhou_2019_Chem.Biol.Interact_13ChEPon_308_372 |
| PubMedID: 31152736 |
| Title : Catalytic Reaction Mechanism for Drug Metabolism in Human Carboxylesterase-1: Cocaine Hydrolysis Pathway - Yao_2018_Mol.Pharm_15_3871 |
| Author(s) : Yao J , Chen X , Zheng F , Zhan CG |
| Ref : Mol Pharm , 15 :3871 , 2018 |
| Abstract : |
| PubMedSearch : Yao_2018_Mol.Pharm_15_3871 |
| PubMedID: 30095924 |
| Title : Author Correction: Plant-expressed cocaine hydrolase variants of butyrylcholinesterase exhibit altered allosteric effects of cholinesterase activity and increased inhibitor sensitivity - Larrimore_2018_Sci.Rep_8_17223 |
| Author(s) : Larrimore KE , Kazan IC , Kannan L , Kendle RP , Jamal T , Barcus M , Bolia A , Brimijoin S , Zhan CG , Ozkan SB , Mor TS |
| Ref : Sci Rep , 8 :17223 , 2018 |
| Abstract : |
| PubMedSearch : Larrimore_2018_Sci.Rep_8_17223 |
| PubMedID: 30443038 |
| Title : Kinetic characterization of cholinesterases and a therapeutically valuable cocaine hydrolase for their catalytic activities against heroin and its metabolite 6-monoacetylmorphine - Kim_2018_Chem.Biol.Interact_293_107 |
| Author(s) : Kim K , Yao J , Jin Z , Zheng F , Zhan CG |
| Ref : Chemico-Biological Interactions , 293 :107 , 2018 |
| Abstract : |
| PubMedSearch : Kim_2018_Chem.Biol.Interact_293_107 |
| PubMedID: 30080993 |
| Title : Plant-expressed cocaine hydrolase variants of butyrylcholinesterase exhibit altered allosteric effects of cholinesterase activity and increased inhibitor sensitivity - Larrimore_2017_Sci.Rep_7_10419 |
| Author(s) : Larrimore KE , Kazan IC , Kannan L , Kendle RP , Jamal T , Barcus M , Bolia A , Brimijoin S , Zhan CG , Ozkan SB , Mor TS |
| Ref : Sci Rep , 7 :10419 , 2017 |
| Abstract : |
| PubMedSearch : Larrimore_2017_Sci.Rep_7_10419 |
| PubMedID: 28874829 |
| Title : Effects of a cocaine hydrolase engineered from human butyrylcholinesterase on metabolic profile of cocaine in rats - Chen_2016_Chem.Biol.Interact_259_104 |
| Author(s) : Chen X , Zheng X , Zhou Z , Zhan CG , Zheng F |
| Ref : Chemico-Biological Interactions , 259 :104 , 2016 |
| Abstract : |
| PubMedSearch : Chen_2016_Chem.Biol.Interact_259_104 |
| PubMedID: 27154495 |
| Title : Potential anti-obesity effects of a long-acting cocaine hydrolase - Zheng_2016_Chem.Biol.Interact_259_99 |
| Author(s) : Zheng X , Deng J , Zhang T , Yao J , Zheng F , Zhan CG |
| Ref : Chemico-Biological Interactions , 259 :99 , 2016 |
| Abstract : |
| PubMedSearch : Zheng_2016_Chem.Biol.Interact_259_99 |
| PubMedID: 27163854 |
| Title : Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations - Zhang_2016_Chem.Biol.Interact_259_142 |
| Author(s) : Zhang Y , Huang X , Han K , Zheng F , Zhan CG |
| Ref : Chemico-Biological Interactions , 259 :142 , 2016 |
| Abstract : |
| PubMedSearch : Zhang_2016_Chem.Biol.Interact_259_142 |
| PubMedID: 27163853 |
| Title : Metabolic Enzymes of Cocaine Metabolite Benzoylecgonine - Chen_2016_ACS.Chem.Biol_11_2186 |
| Author(s) : Chen X , Zheng X , Zhan M , Zhou Z , Zhan CG , Zheng F |
| Ref : ACS Chemical Biology , 11 :2186 , 2016 |
| Abstract : |
| PubMedSearch : Chen_2016_ACS.Chem.Biol_11_2186 |
| PubMedID: 27224254 |
| Title : Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of hunger hormone ghrelin - Yao_2016_Sci.Rep_6_22322 |
| Author(s) : Yao J , Yuan Y , Zheng F , Zhan CG |
| Ref : Sci Rep , 6 :22322 , 2016 |
| Abstract : |
| PubMedSearch : Yao_2016_Sci.Rep_6_22322 |
| PubMedID: 26922910 |
| Title : Kinetic characterization of a cocaine hydrolase engineered from mouse butyrylcholinesterase - Chen_2015_Biochem.J_466_243 |
| Author(s) : Chen X , Huang X , Geng L , Xue L , Hou S , Zheng X , Brimijoin S , Zheng F , Zhan CG |
| Ref : Biochemical Journal , 466 :243 , 2015 |
| Abstract : |
| PubMedSearch : Chen_2015_Biochem.J_466_243 |
| PubMedID: 25486543 |
| Gene_locus related to this paper: human-BCHE |
| Title : Comparison of Candidate Pairs of Hydrolytic Enzymes for Spectrophotometric-dual-enzyme-simultaneous-assay - Liu_2015_Anal.Sci_31_421 |
| Author(s) : Liu H , Yuan M , Yang X , Hu X , Liao J , Dang J , Xie Y , Pu J , Li Y , Zhan CG , Liao F |
| Ref : Anal Sci , 31 :421 , 2015 |
| Abstract : |
| PubMedSearch : Liu_2015_Anal.Sci_31_421 |
| PubMedID: 25958872 |
| Title : A highly efficient cocaine-detoxifying enzyme obtained by computational design - Zheng_2014_Nat.Commun_5_3457 |
| Author(s) : Zheng F , Xue L , Hou S , Liu J , Zhan M , Yang W , Zhan CG |
| Ref : Nat Commun , 5 :3457 , 2014 |
| Abstract : |
| PubMedSearch : Zheng_2014_Nat.Commun_5_3457 |
| PubMedID: 24643289 |
| Gene_locus related to this paper: human-BCHE |
| Title : Kinetic characterization of human butyrylcholinesterase mutants for the hydrolysis of cocaethylene - Hou_2014_Biochem.J_460_447 |
| Author(s) : Hou S , Zhan M , Zheng X , Zhan CG , Zheng F |
| Ref : Biochemical Journal , 460 :447 , 2014 |
| Abstract : |
| PubMedSearch : Hou_2014_Biochem.J_460_447 |
| PubMedID: 24870023 |
| Title : Amino-acid mutations to extend the biological half-life of a therapeutically valuable mutant of human butyrylcholinesterase - Fang_2014_Chem.Biol.Interact_214C_18 |
| Author(s) : Fang L , Hou S , Xue L , Zheng F , Zhan CG |
| Ref : Chemico-Biological Interactions , 214C :18 , 2014 |
| Abstract : |
| PubMedSearch : Fang_2014_Chem.Biol.Interact_214C_18 |
| PubMedID: 24582612 |
| Gene_locus related to this paper: human-BCHE |
| Title : Kinetic characterization of high-activity mutants of human butyrylcholinesterase for the cocaine metabolite norcocaine - Zhan_2014_Biochem.J_457_197 |
| Author(s) : Zhan M , Hou S , Zhan CG , Zheng F |
| Ref : Biochemical Journal , 457 :197 , 2014 |
| Abstract : |
| PubMedSearch : Zhan_2014_Biochem.J_457_197 |
| PubMedID: 24125115 |
| Title : Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches - Zheng_2014_Bioorg.Med.Chem_22_538 |
| Author(s) : Zheng F , Zhan M , Huang X , Abdul Hameed MD , Zhan CG |
| Ref : Bioorganic & Medicinal Chemistry , 22 :538 , 2014 |
| Abstract : |
| PubMedSearch : Zheng_2014_Bioorg.Med.Chem_22_538 |
| PubMedID: 24290065 |
| Title : Reaction pathways and free energy profiles for cholinesterase-catalyzed hydrolysis of 6-monoacetylmorphine - Qiao_2014_Org.Biomol.Chem_12_2214 |
| Author(s) : Qiao Y , Han K , Zhan CG |
| Ref : Org Biomol Chem , 12 :2214 , 2014 |
| Abstract : |
| PubMedSearch : Qiao_2014_Org.Biomol.Chem_12_2214 |
| PubMedID: 24595354 |
| Title : Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification - Fang_2014_ACS.Chem.Biol_9_1764 |
| Author(s) : Fang L , Chow KM , Hou S , Xue L , Chen X , Rodgers DW , Zheng F , Zhan CG |
| Ref : ACS Chemical Biology , 9 :1764 , 2014 |
| Abstract : |
| PubMedSearch : Fang_2014_ACS.Chem.Biol_9_1764 |
| PubMedID: 24919140 |
| Gene_locus related to this paper: rhosm-cocE |
| Title : A model of glycosylated human butyrylcholinesterase - Fang_2013_Mol.Biosyst_10_348 |
| Author(s) : Fang L , Zheng F , Zhan CG |
| Ref : Mol Biosyst , 10 :348 , 2013 |
| Abstract : |
| PubMedSearch : Fang_2013_Mol.Biosyst_10_348 |
| PubMedID: 24327294 |
| Title : Preparation and in vivo characterization of a cocaine hydrolase engineered from human butyrylcholinesterase for metabolizing cocaine - Xue_2013_Biochem.J_453_447 |
| Author(s) : Xue L , Hou S , Tong M , Fang L , Chen X , Jin Z , Tai HH , Zheng F , Zhan CG |
| Ref : Biochemical Journal , 453 :447 , 2013 |
| Abstract : |
| PubMedSearch : Xue_2013_Biochem.J_453_447 |
| PubMedID: 23849058 |
| Title : Substrate selectivity of high-activity mutants of human butyrylcholinesterase - Hou_2013_Org.Biomol.Chem_11_7477 |
| Author(s) : Hou S , Xue L , Yang W , Fang L , Zheng F , Zhan CG |
| Ref : Org Biomol Chem , 11 :7477 , 2013 |
| Abstract : |
| PubMedSearch : Hou_2013_Org.Biomol.Chem_11_7477 |
| PubMedID: 24077614 |
| Title : Structural modifications to tetrahydropyridine-3-carboxylate esters en route to the discovery of M5-preferring muscarinic receptor orthosteric antagonists - Zheng_2013_J.Med.Chem_56_1693 |
| Author(s) : Zheng G , Smith AM , Huang X , Subramanian KL , Siripurapu KB , Deaciuc A , Zhan CG , Dwoskin LP |
| Ref : Journal of Medicinal Chemistry , 56 :1693 , 2013 |
| Abstract : |
| PubMedSearch : Zheng_2013_J.Med.Chem_56_1693 |
| PubMedID: 23379472 |
| Title : Computational gibberellin-binding channel discovery unraveling the unexpected perception mechanism of hormone signal by gibberellin receptor - Hao_2013_J.Comput.Chem_34_2055 |
| Author(s) : Hao GF , Yang SG , Yang GF , Zhan CG |
| Ref : J Comput Chem , 34 :2055 , 2013 |
| Abstract : |
| PubMedSearch : Hao_2013_J.Comput.Chem_34_2055 |
| PubMedID: 23765254 |
| Title : Plants as a source of butyrylcholinesterase variants designed for enhanced cocaine hydrolase activity - Larrimore_2013_Chem.Biol.Interact_203_217 |
| Author(s) : Larrimore KE , Barcus M , Kannan L , Gao Y , Zhan CG , Brimijoin S , Mor TS |
| Ref : Chemico-Biological Interactions , 203 :217 , 2013 |
| Abstract : |
| PubMedSearch : Larrimore_2013_Chem.Biol.Interact_203_217 |
| PubMedID: 23000451 |
| Title : Catalytic activities of a cocaine hydrolase engineered from human butyrylcholinesterase against (+)- and (-)-cocaine - Xue_2013_Chem.Biol.Interact_203_57 |
| Author(s) : Xue L , Hou S , Yang W , Fang L , Zheng F , Zhan CG |
| Ref : Chemico-Biological Interactions , 203 :57 , 2013 |
| Abstract : |
| PubMedSearch : Xue_2013_Chem.Biol.Interact_203_57 |
| PubMedID: 22917637 |
| Title : Fundamental reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of heroin - Qiao_2013_Biochemistry_52_6467 |
| Author(s) : Qiao Y , Han K , Zhan CG |
| Ref : Biochemistry , 52 :6467 , 2013 |
| Abstract : |
| PubMedSearch : Qiao_2013_Biochemistry_52_6467 |
| PubMedID: 23992153 |
| Title : Cocaine esterase-cocaine binding process and the free energy profiles by molecular dynamics and potential of mean force simulations - Huang_2012_J.Phys.Chem.B_116_3361 |
| Author(s) : Huang X , Zhao X , Zheng F , Zhan CG |
| Ref : J Phys Chem B , 116 :3361 , 2012 |
| Abstract : |
| PubMedSearch : Huang_2012_J.Phys.Chem.B_116_3361 |
| PubMedID: 22385120 |
| Title : Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (-)-Cocaine - Liu_2012_J.Chem.Theory.Comput_8_1426 |
| Author(s) : Liu J , Zhan CG |
| Ref : J Chem Theory Comput , 8 :1426 , 2012 |
| Abstract : |
| PubMedSearch : Liu_2012_J.Chem.Theory.Comput_8_1426 |
| PubMedID: 23066354 |
| Title : Reaction pathway and free energy profiles for butyrylcholinesterase-catalyzed hydrolysis of acetylthiocholine - Chen_2012_Biochemistry_51_1297 |
| Author(s) : Chen X , Fang L , Liu J , Zhan CG |
| Ref : Biochemistry , 51 :1297 , 2012 |
| Abstract : |
| PubMedSearch : Chen_2012_Biochemistry_51_1297 |
| PubMedID: 22304234 |
| Title : Modeling of pharmacokinetics of cocaine in human reveals the feasibility for development of enzyme therapies for drugs of abuse - Zheng_2012_PLoS.Comput.Biol_8_e1002610 |
| Author(s) : Zheng F , Zhan CG |
| Ref : PLoS Comput Biol , 8 :e1002610 , 2012 |
| Abstract : |
| PubMedSearch : Zheng_2012_PLoS.Comput.Biol_8_e1002610 |
| PubMedID: 22844238 |
| Title : Why Does the G117H Mutation Considerably Improve the Activity of Human Butyrylcholinesterase against Sarin? Insights from Quantum Mechanical\/Molecular Mechanical Free Energy Calculations - Yao_2012_Biochemistry_51_8980 |
| Author(s) : Yao Y , Liu J , Zhan CG |
| Ref : Biochemistry , 51 :8980 , 2012 |
| Abstract : |
| PubMedSearch : Yao_2012_Biochemistry_51_8980 |
| PubMedID: 23092211 |
| Title : Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation - Huang_2012_J.Phys.Chem.B_116_532 |
| Author(s) : Huang X , Zheng G , Zhan CG |
| Ref : J Phys Chem B , 116 :532 , 2012 |
| Abstract : |
| PubMedSearch : Huang_2012_J.Phys.Chem.B_116_532 |
| PubMedID: 22185605 |
| Title : Active site gating and substrate specificity of butyrylcholinesterase and acetylcholinesterase: insights from molecular dynamics simulations - Fang_2011_J.Phys.Chem.B_115_8797 |
| Author(s) : Fang L , Pan Y , Muzyka JL , Zhan CG |
| Ref : J Phys Chem B , 115 :8797 , 2011 |
| Abstract : |
| PubMedSearch : Fang_2011_J.Phys.Chem.B_115_8797 |
| PubMedID: 21682268 |
| Title : Reaction mechanism for cocaine esterase-catalyzed hydrolyses of (+)- and (-)-cocaine: unexpected common rate-determining step - Liu_2011_J.Phys.Chem.B_115_5017 |
| Author(s) : Liu J , Zhao X , Yang W , Zhan CG |
| Ref : J Phys Chem B , 115 :5017 , 2011 |
| Abstract : |
| PubMedSearch : Liu_2011_J.Phys.Chem.B_115_5017 |
| PubMedID: 21486046 |
| Title : Human butyrylcholinesterase-cocaine binding pathway and free energy profiles by molecular dynamics and potential of mean force simulations - Huang_2011_J.Phys.Chem.B_115_11254 |
| Author(s) : Huang X , Zheng F , Zhan CG |
| Ref : J Phys Chem B , 115 :11254 , 2011 |
| Abstract : |
| PubMedSearch : Huang_2011_J.Phys.Chem.B_115_11254 |
| PubMedID: 21902185 |
| Title : Design, preparation, and characterization of high-activity mutants of human butyrylcholinesterase specific for detoxification of cocaine - Xue_2011_Mol.Pharmacol_79_290 |
| Author(s) : Xue L , Ko MC , Tong M , Yang W , Hou S , Fang L , Liu J , Zheng F , Woods JH , Tai HH , Zhan CG |
| Ref : Molecular Pharmacology , 79 :290 , 2011 |
| Abstract : |
| PubMedSearch : Xue_2011_Mol.Pharmacol_79_290 |
| PubMedID: 20971807 |
| Title : Computational design of a thermostable mutant of cocaine esterase via molecular dynamics simulations - Huang_2011_Org.Biomol.Chem_9_4138 |
| Author(s) : Huang X , Gao D , Zhan CG |
| Ref : Org Biomol Chem , 9 :4138 , 2011 |
| Abstract : |
| PubMedSearch : Huang_2011_Org.Biomol.Chem_9_4138 |
| PubMedID: 21373712 |
| Title : Computational characterization of how the VX nerve agent binds human serum paraoxonase 1 - Fairchild_2011_J.Mol.Model_17_97 |
| Author(s) : Fairchild SZ , Peterson MW , Hamza A , Zhan CG , Cerasoli DM , Chang WE |
| Ref : J Mol Model , 17 :97 , 2011 |
| Abstract : |
| PubMedSearch : Fairchild_2011_J.Mol.Model_17_97 |
| PubMedID: 20379755 |
| Title : Design of high-activity mutants of human butyrylcholinesterase against (-)-cocaine: structural and energetic factors affecting the catalytic efficiency - Zheng_2010_Biochemistry_49_9113 |
| Author(s) : Zheng F , Yang W , Xue L , Hou S , Liu J , Zhan CG |
| Ref : Biochemistry , 49 :9113 , 2010 |
| Abstract : |
| PubMedSearch : Zheng_2010_Biochemistry_49_9113 |
| PubMedID: 20886866 |
| Title : 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 - Huang_2010_J.Phys.Chem.B_114_13545 |
| Author(s) : Huang X , Pan Y , Zheng F , Zhan CG |
| Ref : J Phys Chem B , 114 :13545 , 2010 |
| Abstract : |
| PubMedSearch : Huang_2010_J.Phys.Chem.B_114_13545 |
| PubMedID: 20883001 |
| Title : Free energy perturbation simulation on transition states and high-activity mutants of human butyrylcholinesterase for (-)-cocaine hydrolysis - Yang_2010_J.Phys.Chem.B_114_10889 |
| Author(s) : Yang W , Pan Y , Fang L , Gao D , Zheng F , Zhan CG |
| Ref : J Phys Chem B , 114 :10889 , 2010 |
| Abstract : |
| PubMedSearch : Yang_2010_J.Phys.Chem.B_114_10889 |
| PubMedID: 20677742 |
| Title : Characterization of a high-activity mutant of human butyrylcholinesterase against (-)-cocaine - Yang_2010_Chem.Biol.Interact_187_148 |
| Author(s) : Yang W , Xue L , Fang L , Chen X , Zhan CG |
| Ref : Chemico-Biological Interactions , 187 :148 , 2010 |
| Abstract : |
| PubMedSearch : Yang_2010_Chem.Biol.Interact_187_148 |
| PubMedID: 20060817 |
| Title : Computational determination of binding structures and free energies of phosphodiesterase-2 with benzo[1,4]diazepin-2-one derivatives - Yang_2010_J.Phys.Chem.B_114_16020 |
| Author(s) : Yang B , Hamza A , Chen G , Wang Y , Zhan CG |
| Ref : J Phys Chem B , 114 :16020 , 2010 |
| Abstract : |
| PubMedSearch : Yang_2010_J.Phys.Chem.B_114_16020 |
| PubMedID: 21077589 |
| Title : Structural analysis of thermostabilizing mutations of cocaine esterase - Narasimhan_2010_Protein.Eng.Des.Sel_23_537 |
| Author(s) : Narasimhan D , Nance MR , Gao D , Ko MC , MacDonald J , Tamburi P , Yoon D , Landry DM , Woods JH , Zhan CG , Tesmer JJ , Sunahara RK |
| Ref : Protein Engineering Des Sel , 23 :537 , 2010 |
| Abstract : |
| PubMedSearch : Narasimhan_2010_Protein.Eng.Des.Sel_23_537 |
| PubMedID: 20436035 |
| Gene_locus related to this paper: rhosm-cocE |
| Title : A thermally stable form of bacterial cocaine esterase: a potential therapeutic agent for treatment of cocaine abuse - Brim_2010_Mol.Pharmacol_77_593 |
| Author(s) : Brim RL , Nance MR , Youngstrom DW , Narasimhan D , Zhan CG , Tesmer JJ , Sunahara RK , Woods JH |
| Ref : Molecular Pharmacology , 77 :593 , 2010 |
| Abstract : |
| PubMedSearch : Brim_2010_Mol.Pharmacol_77_593 |
| PubMedID: 20086035 |
| Gene_locus related to this paper: rhosm-cocE |
| Title : Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase - Yang_2009_Biophys.J_96_1931 |
| Author(s) : Yang W , Pan Y , Zheng F , Cho H , Tai HH , Zhan CG |
| Ref : Biophysical Journal , 96 :1931 , 2009 |
| Abstract : |
| PubMedSearch : Yang_2009_Biophys.J_96_1931 |
| PubMedID: 19254552 |
| Title : Recent progress in protein drug design and discovery with a focus on novel approaches to the development of anti-cocaine medications - Zheng_2009_Future.Med.Chem_1_515 |
| Author(s) : Zheng F , Zhan CG |
| Ref : Future Med Chem , 1 :515 , 2009 |
| Abstract : |
| PubMedSearch : Zheng_2009_Future.Med.Chem_1_515 |
| PubMedID: 20161378 |
| Title : Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase - Liu_2009_J.Phys.Chem.B_113_16226 |
| Author(s) : Liu J , Zhang Y , Zhan CG |
| Ref : J Phys Chem B , 113 :16226 , 2009 |
| Abstract : |
| PubMedSearch : Liu_2009_J.Phys.Chem.B_113_16226 |
| PubMedID: 19924840 |
| Title : Model of human butyrylcholinesterase tetramer by homology modeling and dynamics simulation - Pan_2009_J.Phys.Chem.B_113_6543 |
| Author(s) : Pan Y , Muzyka JL , Zhan CG |
| Ref : J Phys Chem B , 113 :6543 , 2009 |
| Abstract : |
| PubMedSearch : Pan_2009_J.Phys.Chem.B_113_6543 |
| PubMedID: 19402731 |
| Title : First-Principles Determination of Molecular Conformations of Indolizidine (-)-235B' in Solution - Zheng_2009_Theor.Chem.Acc_124_269 |
| Author(s) : Zheng F , Dwoskin LP , Crooks PA , Zhan CG |
| Ref : Theor Chem Acc , 124 :269 , 2009 |
| Abstract : |
| PubMedSearch : Zheng_2009_Theor.Chem.Acc_124_269 |
| PubMedID: 20161506 |
| Title : Thermostable variants of cocaine esterase for long-time protection against cocaine toxicity - Gao_2009_Mol.Pharmacol_75_318 |
| Author(s) : Gao D , Narasimhan DL , MacDonald J , Brim R , Ko MC , Landry DW , Woods JH , Sunahara RK , Zhan CG |
| Ref : Molecular Pharmacology , 75 :318 , 2009 |
| Abstract : |
| PubMedSearch : Gao_2009_Mol.Pharmacol_75_318 |
| PubMedID: 18987161 |
| Title : QSAR study on maximal inhibition (Imax) of quaternary ammonium antagonists for S-(-)-nicotine-evoked dopamine release from dopaminergic nerve terminals in rat striatum - Zheng_2009_Bioorg.Med.Chem_17_4477 |
| Author(s) : Zheng F , McConnell MJ , Zhan CG , Dwoskin LP , Crooks PA |
| Ref : Bioorganic & Medicinal Chemistry , 17 :4477 , 2009 |
| Abstract : |
| PubMedSearch : Zheng_2009_Bioorg.Med.Chem_17_4477 |
| PubMedID: 19477134 |
| Title : Computational neural network analysis of the affinity of N-n-alkylnicotinium salts for the alpha4beta2* nicotinic acetylcholine receptor - Zheng_2009_J.Enzyme.Inhib.Med.Chem_24_157 |
| Author(s) : Zheng F , Zheng G , Deaciuc AG , Zhan CG , Dwoskin LP , Crooks PA |
| Ref : J Enzyme Inhib Med Chem , 24 :157 , 2009 |
| Abstract : |
| PubMedSearch : Zheng_2009_J.Enzyme.Inhib.Med.Chem_24_157 |
| PubMedID: 18629679 |
| Title : Structure-and-mechanism-based design and discovery of therapeutics for cocaine overdose and addiction - Zheng_2008_Org.Biomol.Chem_6_836 |
| Author(s) : Zheng F , Zhan CG |
| Ref : Org Biomol Chem , 6 :836 , 2008 |
| Abstract : |
| PubMedSearch : Zheng_2008_Org.Biomol.Chem_6_836 |
| PubMedID: 18292872 |
| Title : Rational design of an enzyme mutant for anti-cocaine therapeutics - Zheng_2008_J.Comput.Aided.Mol.Des_22_661 |
| Author(s) : Zheng F , Zhan CG |
| Ref : J Comput Aided Mol Des , 22 :661 , 2008 |
| Abstract : |
| PubMedSearch : Zheng_2008_J.Comput.Aided.Mol.Des_22_661 |
| PubMedID: 17989928 |
| Title : Most efficient cocaine hydrolase designed by virtual screening of transition states - Zheng_2008_J.Am.Chem.Soc_130_12148 |
| Author(s) : Zheng F , Yang W , Ko MC , Liu J , Cho H , Gao D , Tong M , Tai HH , Woods JH , Zhan CG |
| Ref : Journal of the American Chemical Society , 130 :12148 , 2008 |
| Abstract : |
| PubMedSearch : Zheng_2008_J.Am.Chem.Soc_130_12148 |
| PubMedID: 18710224 |
| Title : Modeling binding modes of alpha7 nicotinic acetylcholine receptor with ligands: the roles of Gln117 and other residues of the receptor in agonist binding - Huang_2008_J.Med.Chem_51_6293 |
| Author(s) : Huang X , Zheng F , Stokes C , Papke RL , Zhan CG |
| Ref : Journal of Medicinal Chemistry , 51 :6293 , 2008 |
| Abstract : |
| PubMedSearch : Huang_2008_J.Med.Chem_51_6293 |
| PubMedID: 18826295 |
| Title : Free energy perturbation (FEP) simulation on the transition states of cocaine hydrolysis catalyzed by human butyrylcholinesterase and its mutants - Pan_2007_J.Am.Chem.Soc_129_13537 |
| Author(s) : Pan Y , Gao D , Yang W , Cho H , Zhan CG |
| Ref : Journal of the American Chemical Society , 129 :13537 , 2007 |
| Abstract : |
| PubMedSearch : Pan_2007_J.Am.Chem.Soc_129_13537 |
| PubMedID: 17927177 |
| Title : Computational neural network analysis of the affinity of lobeline and tetrabenazine analogs for the vesicular monoamine transporter-2 - Zheng_2007_Bioorg.Med.Chem_15_2975 |
| Author(s) : Zheng F , Zheng G , Deaciuc AG , Zhan CG , Dwoskin LP , Crooks PA |
| Ref : Bioorganic & Medicinal Chemistry , 15 :2975 , 2007 |
| Abstract : |
| PubMedSearch : Zheng_2007_Bioorg.Med.Chem_15_2975 |
| PubMedID: 17331733 |
| Title : Modeling subtype-selective agonists binding with alpha4beta2 and alpha7 nicotinic acetylcholine receptors: effects of local binding and long-range electrostatic interactions - Huang_2006_J.Med.Chem_49_7661 |
| Author(s) : Huang X , Zheng F , Chen X , Crooks PA , Dwoskin LP , Zhan CG |
| Ref : Journal of Medicinal Chemistry , 49 :7661 , 2006 |
| Abstract : |
| PubMedSearch : Huang_2006_J.Med.Chem_49_7661 |
| PubMedID: 17181149 |
| Title : Modeling evolution of hydrogen bonding and stabilization of transition states in the process of cocaine hydrolysis catalyzed by human butyrylcholinesterase - Gao_2006_Proteins_62_99 |
| Author(s) : Gao D , Zhan CG |
| Ref : Proteins , 62 :99 , 2006 |
| Abstract : |
| PubMedSearch : Gao_2006_Proteins_62_99 |
| PubMedID: 16288482 |
| Title : QSAR modeling of mono- and bis-quaternary ammonium salts that act as antagonists at neuronal nicotinic acetylcholine receptors mediating dopamine release - Zheng_2006_Bioorg.Med.Chem_14_3017 |
| Author(s) : Zheng F , Bayram E , Sumithran SP , Ayers JT , Zhan CG , Schmitt JD , Dwoskin LP , Crooks PA |
| Ref : Bioorganic & Medicinal Chemistry , 14 :3017 , 2006 |
| Abstract : |
| PubMedSearch : Zheng_2006_Bioorg.Med.Chem_14_3017 |
| PubMedID: 16431111 |
| Title : Modeling multiple species of nicotine and deschloroepibatidine interacting with alpha4beta2 nicotinic acetylcholine receptor: from microscopic binding to phenomenological binding affinity - Huang_2005_J.Am.Chem.Soc_127_14401 |
| Author(s) : Huang X , Zheng F , Crooks PA , Dwoskin LP , Zhan CG |
| Ref : Journal of the American Chemical Society , 127 :14401 , 2005 |
| Abstract : |
| PubMedSearch : Huang_2005_J.Am.Chem.Soc_127_14401 |
| PubMedID: 16218635 |
| Title : Molecular dynamics simulation of cocaine binding with human butyrylcholinesterase and its mutants - Hamza_2005_J.Phys.Chem.B_109_4776 |
| Author(s) : Hamza A , Cho H , Tai HH , Zhan CG |
| Ref : J Phys Chem B , 109 :4776 , 2005 |
| Abstract : |
| PubMedSearch : Hamza_2005_J.Phys.Chem.B_109_4776 |
| PubMedID: 16851561 |
| Title : Computational redesign of human butyrylcholinesterase for anticocaine medication - Pan_2005_Proc.Natl.Acad.Sci.U.S.A_102_16656 |
| Author(s) : Pan Y , Gao D , Yang W , Cho H , Yang G , Tai HH , Zhan CG |
| Ref : Proc Natl Acad Sci U S A , 102 :16656 , 2005 |
| Abstract : |
| PubMedSearch : Pan_2005_Proc.Natl.Acad.Sci.U.S.A_102_16656 |
| PubMedID: 16275916 |
| Title : Catalytic mechanism and energy barriers for butyrylcholinesterase-catalyzed hydrolysis of cocaine - Zhan_2005_Biophys.J_89_3863 |
| Author(s) : Zhan CG , Gao D |
| Ref : Biophysical Journal , 89 :3863 , 2005 |
| Abstract : |
| PubMedSearch : Zhan_2005_Biophys.J_89_3863 |
| PubMedID: 16319079 |
| Title : First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine - Zhan_2005_J.Comput.Chem_26_980 |
| Author(s) : Zhan CG , Deng SX , Skiba JG , Hayes BA , Tschampel SM , Shields GC , Landry DW |
| Ref : J Comput Chem , 26 :980 , 2005 |
| Abstract : |
| PubMedSearch : Zhan_2005_J.Comput.Chem_26_980 |
| PubMedID: 15880781 |
| Title : Reaction pathways and free energy barriers for alkaline hydrolysis of insecticide 2-trimethylammonioethyl methylphosphonofluoridate and related organophosphorus compounds: electrostatic and steric effects - Xiong_2004_J.Org.Chem_69_8451 |
| Author(s) : Xiong Y , Zhan CG |
| Ref : J Org Chem , 69 :8451 , 2004 |
| Abstract : |
| PubMedSearch : Xiong_2004_J.Org.Chem_69_8451 |
| PubMedID: 15549820 |
| Title : Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase - Zhan_2003_J.Am.Chem.Soc_125_2462 |
| Author(s) : Zhan CG , Zheng F , Landry DW |
| Ref : Journal of the American Chemical Society , 125 :2462 , 2003 |
| Abstract : |
| PubMedSearch : Zhan_2003_J.Am.Chem.Soc_125_2462 |
| PubMedID: 12603134 |
| Title : Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation - Koca_2001_J.Am.Chem.Soc_123_817 |
| Author(s) : Koca J , Zhan CG , Rittenhouse RC , Ornstein RL |
| Ref : Journal of the American Chemical Society , 123 :817 , 2001 |
| Abstract : |
| PubMedSearch : Koca_2001_J.Am.Chem.Soc_123_817 |
| PubMedID: 11456615 |