Molecular dynamics, flexible docking, virtual screening, admet predictions, and molecular interaction field studies to design novel potential mao-b inhibitors

Journal of Biomolecular Structure and Dynamics

Volumn 25, Issue 4, 2008, Pages 347-355

  Braun, Glaucia H ^a   Jorge, Daniel M M ^a   Ramos, Henrique P ^a   Alves, Raquel M ^a   da Silva, Vinicius B ^a   Giuliatti, Silvana ^a   Sampaio, Suley Vilela ^a   Taft, Carlton A ^b   Silva, Carlos H T P ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

7 [2 (8 FLUORO 3 OXOOCTYL) 3 HYDROXY 5 OXOCYCLOPENTYL]HEPTANOIC ACID; ALPHA TOCOPHEROL; AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME A; AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME B; ANTIDEPRESSANT AGENT; CLORGYLINE; DOPAMINE; LAZABEMIDE; LEVODOPA; MONOAMINE OXIDASE B INHIBITOR; MONOAMINE OXIDASE INHIBITOR; OCTOPAMINE; PHENETHYLAMINE; PHENYL [2,3,4 TRIHYDROXY 5 (2,3,4 TRIHYDROXY 5 HYDROXYMETHYLPHENOXYMETHYL)PHENOXY]ACETONITRILE; RASAGILINE; SELEGILINE; TRYPTAMINE; UNCLASSIFIED DRUG;

ALZHEIMER DISEASE; ANTIOXIDANT ACTIVITY; ARTICLE; CONTROLLED STUDY; DEPRESSION; DRUG EFFICACY; DRUG POTENTIATION; DRUG SAFETY; DRUG SCREENING; DRUG TARGETING; ENZYME ACTIVE SITE; ENZYME INHIBITION; HUMAN; HYDROGEN BOND; LOW DRUG DOSE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULE; NEUROPROTECTION; NEUROTRANSMISSION; OXIDATIVE STRESS; PARKINSON DISEASE; PHARMACODYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; X RAY CRYSTALLOGRAPHY;

EID: 38349107268     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2008.10507183     Document Type: Article

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