The molecular basis for the inhibition of phosphodiesterase-4D by three natural resveratrol analogs. Isolation, molecular docking, molecular dynamics simulations, binding free energy, and bioassay.

Zhao, Peng; Chen, Shang-Ke; Cai, Ying-Hong; Lu, Xiao; Li, Zhe; Cheng, Yuen-Kit; Zhang, Cuixian; Hu, Xiaopeng; He, Xixin; Luo, Hai-Bin

Zhao, Peng; Chen, Shang-Ke; Cai, Ying-Hong; Lu, Xiao; Li, Zhe; Cheng, Yuen-Kit; Zhang, Cuixian; Hu, Xiaopeng; He, Xixin; Luo, Hai-Bin.

Affiliation

Zhao P; School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou 510006, China.

Biochim Biophys Acta ; 1834(10): 2089-96, 2013 Oct.

Article in En | MEDLINE | ID: mdl-23871879

Subject(s)

Cyclic Nucleotide Phosphodiesterases, Type 3/chemistry; Phosphodiesterase 4 Inhibitors/chemistry; Plant Extracts/chemistry; Stilbenes/chemistry; Binding Sites; Biological Assay; Cyclic Nucleotide Phosphodiesterases, Type 4; Humans; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Kinetics; Molecular Docking Simulation; Molecular Dynamics Simulation; Plant Extracts/isolation & purification; Protein Binding; Protein Structure, Tertiary; Resveratrol; Stilbenes/isolation & purification; Structure-Activity Relationship; Thermodynamics

Key words

Bioassay; Inhibition; Mechanism; Modeling; Phosphodiesterase-4; Resveratrol analog

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Stilbenes / Plant Extracts / Cyclic Nucleotide Phosphodiesterases, Type 3 / Phosphodiesterase 4 Inhibitors Type of study: Prognostic_studies Limits: Humans Language: En Journal: Biochim Biophys Acta Year: 2013 Type: Article Affiliation country: China

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