Search results for " induced fit docking"

showing 3 items of 3 documents

BINDING MODES OF HSP90 INHIBITORS INVESTIGATED THROUGH INDUCED FIT DOCKING: IMPORTANCE OF ACTIVE SITE FLEXIBILITY

2008

Hsp90 Hsp90 inhibitors induced fit dockingSettore CHIM/08 - Chimica Farmaceutica
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LOOKING FOR NEW HSP-90 INHIBITORS THROUGH A MOLECULAR DOCKING/PHARMACOPHORE APPROACH

2008

Hsp90 Induced Fit DockingSettore CHIM/08 - Chimica Farmaceutica
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In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents

2012

Abstract Parasitic diseases caused by protozoarian agents are still relevant today more than ever. Recently, we synthesized several polycondensed diazine derivatives by means 1,3-dipolar cycloaddition reactions. A broad selection of these compounds were submitted to in vitro biological screening against Plasmodium falciparum , Leishmania infantum , Trypanosoma brucei , and Trypanosoma cruzi , resulting active at micromolar level. Induced Fit Docking/MM-GBSA studies were performed giving interesting indications about the probable mechanism of action of the most active compounds

Models MolecularTrypanosoma cruziIn silicoPlasmodium falciparumTrypanosoma brucei bruceiClinical BiochemistryPharmaceutical ScienceTrypanosoma bruceiBiochemistryStructure-Activity Relationshipchemistry.chemical_compoundParasitic Sensitivity Testsparasitic diseasesDrug DiscoveryLeishmania infantumTrypanosoma cruziMolecular BiologyDiazineAntiparasitic AgentsDose-Response Relationship DrugMolecular StructurebiologyOrganic ChemistryPlasmodium falciparumAnti-parasitic Plasmodium Leishmania Trypanosoma Diazine Induced fit docking/MM-GBSAbiology.organism_classificationSettore CHIM/08 - Chimica FarmaceuticaHydrazineschemistryBiochemistryDocking (molecular)TrypanosomaMolecular MedicineLeishmania infantumBioorganic & Medicinal Chemistry Letters
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