Molecular insights into the D1R agonist and D2R/D3R antagonist effects of the natural product (-)-stepholidine: Molecular modeling and dynamics Simulations

Journal of Physical Chemistry B

Volumn 116, Issue 28, 2012, Pages 8121-8130

  Li, Bian ^a   Li, Wei ^a   Du, Peng ^a   Yu, Kun Qian ^b   Fu, Wei ^a  

^a FUDAN UNIVERSITY   (China)

^b SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; HYDROGEN BONDS; HYDROPHOBICITY; NEUROPHYSIOLOGY;

ACTIVATION MODELS; ACTIVE INGREDIENTS; ANTAGONIST EFFECTS; CHINESE HERBS; D-RINGS; DUAL FUNCTION; DYNAMICAL BEHAVIORS; DYNAMICS SIMULATION; HOMOLOGY MODELING; HYDROXYL GROUPS; INTERACTION MODES; KEY FEATURE; MD SIMULATION; MOLECULAR DOCKING; MOLECULAR INSIGHTS; NATURAL PRODUCTS; PHARMACOLOGICAL EFFECTS; PHARMACOLOGICAL PROFILES; RECEPTOR ACTIVATION; SIDE-CHAINS; STRUCTURAL BIOLOGY;

MOLECULAR MODELING;

EID: 84864058353     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3049235     Document Type: Article

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