Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: Insight into structure-based inhibitor design

Molecular BioSystems

Volumn 9, Issue 10, 2013, Pages 2435-2446

  Shen, Mingyun ^a   Zhou, Shunye ^a   Li, Youyong ^a   Li, Dan ^b   Hou, Tingjun ^a,b  

^a SOOCHOW UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

LIM KINASE; PROTEIN BINDING; PROTEIN KINASE INHIBITOR; PYRIMIDINE DERIVATIVE; PYRROLE DERIVATIVE; PYRROLOPYRIMIDINE;

ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG DESIGN; IC50; KINETICS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ARTICLE; DRUG ANTAGONISM; IC 50; PROTEIN BINDING;

DRUG DESIGN; INHIBITORY CONCENTRATION 50; KINETICS; LIM KINASES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PYRIMIDINES; PYRROLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84883401251     PISSN: 1742206X     EISSN: 17422051     Source Type: Journal    
DOI: 10.1039/c3mb70168a     Document Type: Article

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