Structural Basis of Fullerene Derivatives as Novel Potent Inhibitors of Protein Tyrosine Phosphatase 1B: Insight into the Inhibitory Mechanism through Molecular Modeling Studies

Journal of Chemical Information and Modeling

Volumn 56, Issue 10, 2016, Pages 2024-2034

  Qian, Mengdan ^a   Shan, Yaming ^a   Guan, Shanshan ^a   Zhang, Hao ^a   Wang, Song ^a   Han, Weiwei ^a,b  

^a JILIN UNIVERSITY   (China)

^b University of Missouri   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING ENERGY; CATALYST ACTIVITY; MOLECULAR DYNAMICS; MOLECULAR MODELING; PHOSPHATASES;

BINDING AFFINITIES; FULLERENE DERIVATIVE; INHIBITORY MECHANISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MODELING STUDIES; OPEN CONFORMATION; PROTEIN-TYROSINE PHOSPHATASE 1B;

FULLERENES;

ENZYME INHIBITOR; FULLERENE DERIVATIVE; PROTEIN TYROSINE PHOSPHATASE 1B; PTPN1 PROTEIN, HUMAN;

ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG EFFECTS; ENZYME ACTIVE SITE; HUMAN; METABOLISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; THERMODYNAMICS;

CATALYTIC DOMAIN; ENZYME INHIBITORS; FULLERENES; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1; THERMODYNAMICS;

EID: 84992756789     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.6b00482     Document Type: Article

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