Exploration of the binding mode between (-)-zampanolide and tubulin using docking and molecular dynamics simulation

Journal of Molecular Modeling

Volumn 20, Issue 2, 2014, Pages

  Liao, Si Yan ^a   Mo, Guang Quan ^a   Chen, Jin Can ^b   Zheng, Kang Cheng ^c  

^a GUANGZHOU MEDICAL UNIVERSITY   (China)

^b GUANGDONG MEDICAL UNIVERSITY   (China)

^c SUN YAT SEN UNIVERSITY   (China)

Author keywords

( ) Zampanolide; Docking; Mechanism of action; Molecular dynamics simulation; Tubulin

Indexed keywords

ALPHA TUBULIN; ASPARTIC ACID; BETA TUBULIN; HISTIDINE; MACROLIDE; PACLITAXEL; UNCLASSIFIED DRUG; ZAMPANOLIDE; TUBULIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL BINDING; CONFORMATION; COVALENT BOND; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NUCLEOPHILICITY; PRIORITY JOURNAL; CHEMISTRY; PROTEIN BINDING; THERMODYNAMICS;

BINDING SITES; HYDROGEN BONDING; MACROLIDES; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; THERMODYNAMICS; TUBULIN;

EID: 84892906531     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2070-6     Document Type: Article

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