Probing the interaction between prostacyclin synthase and prostaglandin H2 analogues or inhibitors via a combination of resonance Raman spectroscopy and molecular dynamics simulation approaches

Journal of the American Chemical Society

Volumn 133, Issue 46, 2011, Pages 18870-18879

  Chao, Wei Chih ^a   Lu, Jyh Feng ^b   Wang, Jinn Shyan ^b   Yang, Hsiao Ching ^a   Chen, Hsiao Hui ^a   Lan, Yi Kang ^a   Yu, Ya Chien ^c   Chou, Pi Tai ^c   Wang, Lee Ho ^d  

^a FU JEN CATHOLIC UNIVERSITY   (Taiwan)

^b FU JEN CATHOLIC UNIVERSITY   (Taiwan)

^c NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^d UNIVERSITY OF TEXAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENDING MODES; BENDING VIBRATIONS; CONFORMATIONAL CHANGE; HEME GROUP; HIGH FREQUENCY HF; LIGAND BINDING; LOW FREQUENCY; MATRIX; MD SIMULATION; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; RAMAN SHIFT; RESONANCE RAMAN SPECTROSCOPY; STRUCTURE-FUNCTION RELATIONSHIP; SUBSTRATE BINDING; SYNTHASES; ZEBRAFISH;

LIGANDS; PORPHYRINS; PROTEINS; RAMAN SPECTROSCOPY; SPIN DYNAMICS; VOLATILE FATTY ACIDS;

MOLECULAR DYNAMICS;

CLOTRIMAZOLE; FERRIC ION; HEME; MICONAZOLE; MINOXIDIL; PROPIONIC ACID; PROSTACYCLIN SYNTHASE; PROSTAGLANDIN H2; VINYL DERIVATIVE;

ARTICLE; CONFORMATIONAL TRANSITION; ENZYME MECHANISM; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR PROBE; NONHUMAN; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; RAMAN SPECTROMETRY; SIMULATION; VIBRATION; ZEBRA FISH;

CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; INTRAMOLECULAR OXIDOREDUCTASES; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PROSTAGLANDIN H2; PROSTAGLANDINS, SYNTHETIC; SPECTRUM ANALYSIS, RAMAN;

EID: 83055186861     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja206918w     Document Type: Article

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