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

Biochimica et Biophysica Acta - Proteins and Proteomics

Volumn 1834, Issue 10, 2013, Pages 2089-2096

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

^a SUN YAT SEN UNIVERSITY   (China)

^b HONG KONG BAPTIST UNIVERSITY   (Hong Kong)

^c GUANGZHOU UNIVERSITY OF CHINESE MEDICINE   (China)

Author keywords

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

Indexed keywords

2',3,5',5 TETRAHYDROXYSTILBENE; AROMATIC COMPOUND; GLUTAMINE; HISTIDINE; HYDROGEN; LIGAND; MORACIN M; NATURAL PRODUCT; OXYRESVERATROL; PHENYLALANINE; PHOSPHODIESTERASE 4D; PHOSPHODIESTERASE IV; PHOSPHODIESTERASE IV INHIBITOR; PTEROSTILBENE; RESVERATROL; RESVERATROL DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BIOASSAY; COMPLEX FORMATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG INHIBITION; ENERGY; ENZYME ACTIVE SITE; ENZYME INHIBITION; HYDROGEN BOND; HYDROPHOBICITY; IC 50; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; PROTEIN BINDING; X RAY CRYSTALLOGRAPHY;

BIOASSAY; INHIBITION; MECHANISM; MODELING; PHOSPHODIESTERASE-4; RESVERATROL ANALOG;

BINDING SITES; BIOLOGICAL ASSAY; CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, TYPE 3; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; KINETICS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PHOSPHODIESTERASE 4 INHIBITORS; PLANT EXTRACTS; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; STILBENES; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84881003806     PISSN: 15709639     EISSN: 18781454     Source Type: Journal    
DOI: 10.1016/j.bbapap.2013.07.004     Document Type: Article

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