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CEANOTHANES DERIVATIVES AS PERIPHERIC ANIONIC SITE AND CATALYTIC ACTIVE SITE INHIBITORS OF ACETYLCHOLINESTERASE: INSIGHTS FOR FUTURE DRUG DESIGN

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dc.creatorSOLEDAD MARGARITA QUIROZ CARREÑO
dc.creatorEVELYN DEL PILAR MUÑOZ NÚÑEZ
dc.creatorEDGAR RAFAEL PASTENE NAVARRETE
dc.creatorJULIO ENRIQUE ILDEFONSO ALARCÓN ENOS
dc.date2024
dc.date.accessioned2025-01-10T15:50:52Z
dc.date.available2025-01-10T15:50:52Z
dc.date.issued2024
dc.description.abstractALZHEIMER?S DISEASE (AD) IS A MULTIFACTORIAL AND FATAL NEURODEGENERATIVE DISORDER. ACETYLCHOLINESTERASE (ACHE) PLAYS A KEY ROLE IN THE REGULATION OF THE CHOLINERGIC SYSTEM AND PARTICULARLY IN THE FORMATION OF AMYLOID PLAQUES; THEREFORE, THE INHIBITION OF ACHE HAS BECOME ONE OF THE MOST PROMISING STRATEGIES FOR THE TREATMENT OF AD, PARTICULARLY CONCERNING ACHE INHIBITORS THAT INTERACT WITH THE PERIPHERAL ANIONIC SITE (PAS). CEANOTHIC ACID ISOLATED FROM THE CHILEAN RHAMNACEAE PLANTS IS AN INHIBITOR OF ACHE THROUGH ITS INTERACTION WITH PAS. IN THIS STUDY, SIX CEANOTHIC ACID DERIVATIVES WERE PREPARED, AND ALL SHOWED INHIBITORY ACTIVITY AGAINST ACHE. THE STRUCTURAL MODIFICATIONS WERE PERFORMED STARTING FROM CEANOTHIC ACID BY APPLICATION OF SIMPLE SYNTHETIC ROUTES: ESTERIFICATION, REDUCTION, AND OXIDATION. ACHE ACTIVITY WAS DETERMINED BY THE ELLMANN METHOD FOR ALL COMPOUNDS. KINETIC STUDIES INDICATED THAT ITS INHIBITION WAS COMPETITIVE AND REVERSIBLE. ACCORDING TO THE MOLECULAR COUPLING AND DISPLACEMENT STUDIES OF THE PROPIDIUM IODIDE TEST, THE INHIBITORY EFFECT OF COMPOUNDS WOULD BE PRODUCED BY INTERACTION WITH THE PAS OF ACHE. IN SILICO PREDICTIONS OF PHYSICOCHEMICAL PROPERTIES, PHARMACOKINETICS, DRUG-LIKENESS, AND MEDICINAL CHEMISTRY FRIENDLINESS OF THE CEANOTHANE DERIVATIVES WERE PERFORMED USING THE SWISS ADME TOOL.
dc.formatapplication/pdf
dc.identifier.doi10.3390/ijms25137303
dc.identifier.issn1422-0067
dc.identifier.issn1422-0067
dc.identifier.urihttps://repositorio.ubiobio.cl/handle/123456789/13929
dc.languagespa
dc.publisherINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
dc.relation.uri10.3390/ijms25137303
dc.rightsPUBLICADA
dc.subjectpentacyclic triterpenes
dc.subjectceanothic acid
dc.subjectacetylcholinesterase
dc.titleCEANOTHANES DERIVATIVES AS PERIPHERIC ANIONIC SITE AND CATALYTIC ACTIVE SITE INHIBITORS OF ACETYLCHOLINESTERASE: INSIGHTS FOR FUTURE DRUG DESIGN
dc.typeARTÍCULO
dspace.entity.typePublication
ubb.EstadoPUBLICADA
ubb.Otra ReparticionDEPARTAMENTO DE CIENCIAS BASICAS
ubb.Otra ReparticionDEPARTAMENTO DE CIENCIAS BASICAS
ubb.Otra ReparticionDEPARTAMENTO DE CIENCIAS BASICAS
ubb.SedeCHILLÁN
ubb.SedeCHILLÁN
ubb.SedeCHILLÁN
ubb.SedeCHILLÁN
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