Studies of new fused benzazepine as selective dopamine D3 receptor antagonists using 3D-QSAR, molecular docking and molecular dynamics

scientific article published on 18 February 2011

Studies of new fused benzazepine as selective dopamine D3 receptor antagonists using 3D-QSAR, molecular docking and molecular dynamics is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.3390/IJMS12021196
P8608Fatcat IDrelease_uon6kq32mzgrtd27txsdkk3j24
P932PMC publication ID3083700
P698PubMed publication ID21541053
P5875ResearchGate publication ID51096864

P2093author name stringYan Li
Jing Liu
Zhengtao Xiao
Shuwei Zhang
Chunzhi Ai
P2860cites workMOLECULAR VIBRATIONS OF QUINONES. VI. A VIBRATIONAL ASSIGNMENT FOR P-BENZOQUINONE AND SIX ISOTOPIC DERIVATIVES. THERMODYNAMIC FUNCTIONS OF P-BENZOQUINONEQ78265807
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New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part one: [h]-fused tricyclic systemsQ46772537
New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part 2: [g]-fused and hetero-fused systemsQ46820906
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Utility of homology models in the drug discovery process.Q30342415
Novel 2,3,4,5-tetrahydro-1H-3-benzazepines with high affinity and selectivity for the dopamine D3 receptorQ31586285
Structure-activity relationships of multidrug resistance reversersQ34204463
In silico prediction of estrogen receptor subtype binding affinity and selectivity using statistical methods and molecular docking with 2-arylnaphthalenes and 2-arylquinolinesQ34205634
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DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methodsQ36484691
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Studies of benzothiadiazine derivatives as hepatitis C virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamicsQ42998095
Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor.Q43552114
Analysis of binding residues between scorpion neurotoxins and D2 dopamine receptor: a computational docking studyQ44057957
Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.Q44604114
3D-QSAR study on atmospheric half-lives of POPs using CoMFA and CoMSIA.Q44739441
3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studiesQ45158348
Modeling the similarity and divergence of dopamine D2-like receptors and identification of validated ligand-receptor complexesQ45249701
Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibitionQ46185951
The role of QSAR in dopamine interactionsQ46420338
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue2
P407language of work or nameEnglishQ1860
P304page(s)1196-1221
P577publication date2011-02-18
P1433published inInternational Journal of Molecular SciencesQ3153277
P1476titleStudies of new fused benzazepine as selective dopamine D3 receptor antagonists using 3D-QSAR, molecular docking and molecular dynamics
P478volume12

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cites work (P2860)
Q28828620Beyond small-molecule SAR: using the dopamine D3 receptor crystal structure to guide drug design
Q47576341Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors
Q38247995Insights into the structural biology of G-protein coupled receptors impacts drug design for central nervous system neurodegenerative processes
Q24635165Investigation on quantitative structure activity relationships and pharmacophore modeling of a series of mGluR2 antagonists
Q37665888Physiologically based pharmacokinetic models: integration of in silico approaches with micro cell culture analogues
Q50554438Predicting subtype selectivity of dopamine receptor ligands with three-dimensional biologically relevant spectrum.

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