Study of the interaction of Huperzia saururus Lycopodium alkaloids with the acetylcholinesterase enzyme

Journal of Molecular Graphics and Modelling

Volumn 44, Issue , 2013, Pages 136-144

  Puiatti, Marcelo ^a   Borioni, Jose Luis ^a   Vallejo, Mariana Guadalupe ^b   Cabrera, Jose Luis ^b   Agnese, Alicia Mariel ^b   Ortega, Maria Gabriela ^b   Pierini, Adriana Beatríz ^a  

^a DEPARTAMENTO DE FISICOQUÍMICA   (Argentina)

^b UNIVERSIDAD NACIONAL DE CÓRDOBA   (Argentina)

Author keywords

Acetylcholinesterase inhibitors; Docking; Lycopodium alkaloids; Molecular dynamics; Sauroxine

Indexed keywords

ALKALOIDS; BINDING SITES; BINS; CHEMICAL COMPOUNDS; COMPLEXATION; DOCKING; ENZYMES; METABOLITES; MOLECULAR DYNAMICS;

ACETYLCHOLINESTERASE; ACETYLCHOLINESTERASE ENZYMES; ACETYLCHOLINESTERASE INHIBITORS; ACTIVE COMPOUNDS; ALL-ATOM FORCE FIELD; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN-LIGAND COMPLEXES; SAUROXINE;

BINDING ENERGY;

6 HYDROXYLYCOPODINE; ACETYLCHOLINESTERASE; ALKALOID; CHOLINESTERASE INHIBITOR; HUPERZINE A; SAUROINE; SAUROXINE; UNCLASSIFIED DRUG;

ARTICLE; ATOM; ATOMIC FORCE MICROSCOPY; BINDING SITE; DRUG STRUCTURE; ENZYME BINDING; FORCE; HUPERZIA; HUPERZIA SAURURUS; IC 50; LIGAND BINDING; LYCOPODIUM; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

HUPERZIA SAURURUS; LYCOPODIUM;

ACETYLCHOLINESTERASE INHIBITORS; DOCKING; LYCOPODIUM ALKALOIDS; MOLECULAR DYNAMICS; SAUROXINE;

ACETYLCHOLINESTERASE; ALKALOIDS; CHOLINESTERASE INHIBITORS; HUPERZIA; INHIBITORY CONCENTRATION 50; LYCOPODIUM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84879834132     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.05.009     Document Type: Article

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