Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation

scientific article published on 20 December 2011

Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/JP210579B
P8608Fatcat IDrelease_vobh2g4amzh3ldkl635jhfmtdm
P932PMC publication ID3257414
P698PubMed publication ID22185605
P5875ResearchGate publication ID51903698

P2093author name stringChang-Guo Zhan
Guangrong Zheng
Xiaoqin Huang
P2860cites workCLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choiceQ24286950
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A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic ReceptorQ27650801
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M5 muscarinic receptors are required for prolonged accumbal dopamine release after electrical stimulation of the pons in miceQ28592090
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AGAP1/AP-3-dependent endocytic recycling of M5 muscarinic receptors promotes dopamine releaseQ34076241
M5 muscarinic receptors are needed for slow activation of dopamine neurons and for rewarding brain stimulationQ34273834
Use of M1-M5 muscarinic receptor knockout mice as novel tools to delineate the physiological roles of the muscarinic cholinergic systemQ35098516
Fundamental reaction pathway and free energy profile for hydrolysis of intracellular second messenger adenosine 3',5'-cyclic monophosphate (cAMP) catalyzed by phosphodiesterase-4.Q35532041
Conserved waters mediate structural and functional activation of family A (rhodopsin-like) G protein-coupled receptorsQ37208884
In vivo and in vitro pharmacological characterization of SVT-40776, a novel M3 muscarinic receptor antagonist, for the treatment of overactive bladder.Q37230811
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Characterization of the structures of phosphodiesterase 10 binding with adenosine 3',5'-monophosphate and guanosine 3',5'-monophosphate by hybrid quantum mechanical/molecular mechanical calculationsQ40817937
Catalytic mechanism of cytochrome P450 for 5'-hydroxylation of nicotine: fundamental reaction pathways and stereoselectivity.Q41836815
Loss of M5 muscarinic acetylcholine receptors leads to cerebrovascular and neuronal abnormalities and cognitive deficits in mice.Q42500981
Muscarinic receptor antagonist therapy improves acute pulmonary dysfunction after smoke inhalation injury in sheepQ42908605
Preclinical evaluation of long-acting muscarinic antagonists: comparison of tiotropium and investigational drugs.Q45991777
M5 muscarinic receptor knockout mice show reduced morphine-induced locomotion but increased locomotion after cholinergic antagonism in the ventral tegmental areaQ46320304
Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexesQ46586108
The predicted 3D structures of the human M1 muscarinic acetylcholine receptor with agonist or antagonist boundQ46629126
Identification of an agonist-induced conformational change occurring adjacent to the ligand-binding pocket of the M(3) muscarinic acetylcholine receptorQ46644237
Crystallizing thinking about the beta2-adrenergic receptor.Q46779816
Docking analyses on human muscarinic receptors: unveiling the subtypes peculiarities in agonists bindingQ46817465
Pharmacological characterization of a new antimuscarinic agent, solifenacin succinate, in comparison with other antimuscarinic agents.Q51800873
The electrostatic potential of B-DNA.Q52425498
The role of charge interactions in muscarinic agonist binding, and receptor-response coupling.Q54494926
Muscarinic receptors: A comparative analysis of structural features and binding modes through homology modelling and molecular dockingQ56899096
Critical Role for the Second Extracellular Loop in the Binding of Both Orthosteric and Allosteric G Protein-coupled Receptor LigandsQ57838214
Design and synthesis of a fluorescent muscarinic antagonistQ58293439
A network of conserved intramolecular contacts defines the off-state of the transmembrane switch mechanism in a seven-transmembrane receptorQ73462978
Combination of the CHARMM27 force field with united-atom lipid force fieldsQ83676992
P433issue1
P407language of work or nameEnglishQ1860
P304page(s)532-541
P577publication date2011-12-20
P1433published inJournal of Physical Chemistry BQ668669
P1476titleMicroscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation
P478volume116

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cites work (P2860)
Q28082151Mathematical and computational modeling in biology at multiple scales
Q92946309Metabolites of Vinca Alkaloid Vinblastine: Tubulin Binding and Activation of Nausea-Associated Receptors
Q36037754Modeling and Re-Engineering of Azotobacter vinelandii Alginate Lyase to Enhance Its Catalytic Efficiency for Accelerating Biofilm Degradation
Q40487987Molecular modeling and redesign of alginate lyase from Pseudomonas aeruginosa for accelerating CRPA biofilm degradation
Q36912560Structural modifications to tetrahydropyridine-3-carboxylate esters en route to the discovery of M5-preferring muscarinic receptor orthosteric antagonists

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