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Synthesis and Docking of Novel 3-Indolylpropyl Derivatives as New Polypharmacological Agents Displaying Affinity for 5-HT1AR/SERT

dc.contributor.authorPessoa-Mahana H.
dc.contributor.authorSilva-Matus P.
dc.contributor.authorPessoa-Mahana C.D.
dc.contributor.authorChung H.
dc.contributor.authorIturriaga-Vásquez P.
dc.contributor.authorQuiroz G.
dc.contributor.authorMöller-Acuña P.
dc.contributor.authorZapata-Torres G.
dc.contributor.authorSaitz-Barría C.
dc.contributor.authorAraya-Maturana R.
dc.contributor.authorReyes-Parada M.
dc.date.accessioned2020-09-02T22:25:48Z
dc.date.available2020-09-02T22:25:48Z
dc.date.issued2017
dc.identifier10.1002/ardp.201600271
dc.identifier.citation350, 1, -
dc.identifier.issn03656233
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5788
dc.descriptionA series of novel 3-indolylpropyl derivatives was synthesized and evaluated for their binding affinities at the serotonin-1A receptor subtype (5-HT1AR) and the 5-HT transporter (SERT). Compounds 11b and 14b exhibited the highest affinities at the 5-HT1AR (Ki = 43 and 56 nM), whereas compounds 11c and 14a were the most potent analogs at the SERT (Ki = 34 and 17 nM). On the other hand, compounds 14b and 11d showed potent activity at both targets, displaying a profile that makes them promising leads for the search for novel potent ligands with a dual mechanism of action. Molecular docking studies in all the compounds unveiled relevant drug–target interactions, which allowed rationalizing the observed affinities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.subject5-Hydroxytryptamine 1A receptor
dc.subjectDocking
dc.subjectIndole
dc.subjectPiperazinylpropylindole derivatives
dc.subjectSerotonin transporter
dc.subject1 benzyl 3 [[4 [3 (1h indol 3 yl)propyl]piperazin 1 yl]methyl] 1h indole
dc.subject1 benzyl 3 [[4 [3 (5 bromo 1h indol 3 yl)propyl]piperazin 1 yl]methyl] 1h indole
dc.subject1 benzyl 3 [[4 [3 (5 fluoro 1h indol 3 yl)propyl]piperazin 1 yl]methyl] 1h indole
dc.subject1 benzyl 3 [[4 [3 (5 methoxy 1h indol 3 yl)propyl]piperazin 1 yl]methyl] 1h indole
dc.subject1 [3 (1h indol 3 yl)propyl] 6 methoxy 4,5 dihydro 1h benzo[b]azepin 2(3h) one
dc.subject2 dipropylamino 8 hydroxytetralin
dc.subject4 [4 [3 (1h indol 3 yl)propyl]piperazin 1 yl] n [(1 benzyl 1h indol 3 yl)methyl]aniline
dc.subject4 [4 [3 (1h indol 3 yl)propyl]piperazin 1 yl] n [(1 benzyl 5 bromo 1h indol 3 yl)methyl]aniline
dc.subject4 [4 [3 (1h indol 3 yl)propyl]piperazin 1 yl] n [(1 benzyl 5 fluoro 1h indol 3 yl)methyl]aniline
dc.subject6 methoxy 1 [3 (5 methoxy 1h indol 3 yl)propyl] 4,5 dihydro 1h benzo[b]azepin 2(3h) one
dc.subjectfluoxetine
dc.subjectindole derivative
dc.subjectn [(1 benzyl 5 fluoro 1h indol 3 yl)methyl] 4 [4 [3 (5 methoxy 1h indol 3 yl)propyl]piperazin 1 yl]aniline
dc.subjectpropane
dc.subjectserotonin 1A agonist
dc.subjectserotonin 1A receptor
dc.subjectserotonin transporter
dc.subjectserotonin uptake inhibitor
dc.subjectunclassified drug
dc.subject[3 (5 bromo 1h indol 3 yl)propyl] 6 methoxy 4,5 dihydro 1h benzo[b]azepin 2(3h) one
dc.subject[3 (5 fluoro 1h indol 3 yl)propyl] 6 methoxy 4,5 dihydro 1h benzo[b]azepin 2(3h) one
dc.subjectantidepressant agent
dc.subjectindole derivative
dc.subjectserotonin 1A receptor
dc.subjectserotonin receptor affecting agent
dc.subjectserotonin transporter
dc.subjectArticle
dc.subjectbinding affinity
dc.subjectbiological activity
dc.subjectcompetitive binding assay
dc.subjectcontrolled study
dc.subjectcrystal structure
dc.subjectdrug binding
dc.subjectdrug potency
dc.subjectdrug screening
dc.subjectdrug selectivity
dc.subjectdrug synthesis
dc.subjecthuman
dc.subjectmolecular docking
dc.subjectmolecular dynamics
dc.subjectpolypharmacology
dc.subjectpriority journal
dc.subjectsubstitution reaction
dc.subjectchemical structure
dc.subjectchemistry
dc.subjectdose response
dc.subjectmetabolism
dc.subjectstructure activity relation
dc.subjectsynthesis
dc.subjectAntidepressive Agents
dc.subjectDose-Response Relationship, Drug
dc.subjectHumans
dc.subjectIndoles
dc.subjectMolecular Docking Simulation
dc.subjectMolecular Structure
dc.subjectReceptor, Serotonin, 5-HT1A
dc.subjectSerotonin Agents
dc.subjectSerotonin Plasma Membrane Transport Proteins
dc.subjectStructure-Activity Relationship
dc.titleSynthesis and Docking of Novel 3-Indolylpropyl Derivatives as New Polypharmacological Agents Displaying Affinity for 5-HT1AR/SERT
dc.typeArticle


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