Molecular dynamics approach to probe the allosteric inhibition of PTP1B by chlorogenic and cichoric acid

Journal of Chemical Information and Modeling

Volumn 52, Issue 8, 2012, Pages 2004-2012

  Baskaran, Sarath Kumar ^a   Goswami, Nabajyoti ^a   Selvaraj, Sudhagar ^a   Muthusamy, Velusamy Shanmuganathan ^a   Lakshmi, Baddireddi Subhadra ^a  

^a ANNA UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPLEXATION; PROTEINS;

ALLOSTERIC INHIBITION; COMPUTATIONAL STRATEGY; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISM; NEGATIVE REGULATORS; PROTEIN-LIGAND COMPLEXES; PROTEIN-TYROSINE PHOSPHATASE 1B; THERAPEUTIC INTERVENTION;

MOLECULAR DYNAMICS;

CAFFEIC ACID DERIVATIVE; CHLOROGENIC ACID; CICHORIC ACID; ENZYME INHIBITOR; PROTEIN TYROSINE PHOSPHATASE 1B; SUCCINIC ACID DERIVATIVE;

ALLOSTERISM; ARTICLE; BINDING SITE; CHEMISTRY; DRUG ANTAGONISM; DRUG EFFECT; HUMAN; METABOLISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN CONFORMATION;

ALLOSTERIC REGULATION; ALLOSTERIC SITE; CAFFEIC ACIDS; CHLOROGENIC ACID; ENZYME INHIBITORS; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1; SUCCINATES;

EID: 84865515439     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200581g     Document Type: Article

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