Molecular simulations of aromatase reveal new insights into the mechanism of ligand binding

scientific article published on 09 August 2013

Molecular simulations of aromatase reveal new insights into the mechanism of ligand binding is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/jcisd/ParkCA13
P356DOI10.1021/CI400225W
P932PMC publication ID3787069
P698PubMed publication ID23927370

P2093author name stringRommie E Amaro
Luke Czapla
Jiho Park
P2860cites workStructural basis for androgen specificity and oestrogen synthesis in human aromataseQ24314572
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Epitope characterization of an aromatase monoclonal antibody suitable for the assessment of intratumoral aromatase activityQ28472079
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Phase I and endocrine study of exemestane (FCE 24304), a new aromatase inhibitor, in postmenopausal womenQ42455423
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Dynamics, hydration, and motional averaging of a loop-gated artificial protein cavity: the W191G mutant of cytochrome c peroxidase in water as revealed by molecular dynamics simulationsQ42629821
First dual aromatase-steroid sulfatase inhibitorsQ43944866
Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.Q46203919
Structure-activity relationships of new A,D-ring modified steroids as aromatase inhibitors: design, synthesis, and biological activity evaluation.Q46725647
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Reversible peptide folding in solution by molecular dynamics simulationQ47812843
Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values.Q51550011
Dynamic structures of adrenocortical cytochrome P-450 in proteoliposomes and microsomes: protein rotation studyQ54255625
Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzymeQ56997666
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P433issue8
P921main subjectligand bindingQ61659151
P304page(s)2047-2056
P577publication date2013-08-09
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleMolecular simulations of aromatase reveal new insights into the mechanism of ligand binding
P478volume53

Reverse relations

cites work (P2860)
Q37667038Acquired CYP19A1 amplification is an early specific mechanism of aromatase inhibitor resistance in ERα metastatic breast cancer
Q35853865Alterations in ubiquitin ligase Siah-2 and its corepressor N-CoR after P-MAPA immunotherapy and anti-androgen therapy: new therapeutic opportunities for non-muscle invasive bladder cancer.
Q21146741Anatomy of enzyme channels
Q38397344Computational solvent mapping in structure-based drug design
Q93126733Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19
Q38691180Molecular dynamics investigations of membrane-bound CYP2C19 polymorphisms reveal distinct mechanisms for peripheral variants by long-range effects on the enzymatic activity.
Q37025619Recent Progress in the Discovery of Next Generation Inhibitors of Aromatase from the Structure-Function Perspective
Q94461738The Effect of Force-Field Parameters on Cytochrome P450-Membrane Interactions: Structure and Dynamics
Q47779502Working at the membrane interface: Ligand-induced changes in dynamic conformation and oligomeric structure in human aromatase

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