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Synthesis, 5-hydroxytryptamine1A receptor affinity and docking studies of 3-[3-(4-aryl-1-piperazinyl)-propyl]-1H-indole derivatives

dc.contributor.authorPessoa-Mahana H.
dc.contributor.authorNúñez C.U.
dc.contributor.authorAraya-Maturana R.
dc.contributor.authorBarría C.S.
dc.contributor.authorZapata-Torres G.
dc.contributor.authorPessoa-Mahana C.D.
dc.contributor.authorIturriaga-Vasquez P.
dc.contributor.authorMella-Raipán J.
dc.contributor.authorReyes-Parada M.
dc.contributor.authorCelis-Barros C.
dc.date.accessioned2020-09-02T22:25:48Z
dc.date.available2020-09-02T22:25:48Z
dc.date.issued2012
dc.identifier10.1248/cpb.60.632
dc.identifier.citation60, 5, 632-638
dc.identifier.issn00092363
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5787
dc.descriptionA series of 3-[3-(4-aryl-1-piperazinyl)-propyl]-1H-indole derivatives (12a-h) was synthesized and evaluated for binding affinity at the human 5-hydroxytryptamine1A receptor (5-HT1AR) compounds (12b) and (12h) showed the highest 5-HT1A receptor affinity (IC 50-=15 nM). Molecular docking studies with all the compounds in a homology model of 5-HT1A showed that the main interaction anchoring the ligand in the receptor was a charge-reinforced bond between the protonated nitrogen atom (N-4) of the piperazine ring and Aspartate3.32. © 2012 The Pharmaceutical Society of Japan.
dc.language.isoen
dc.publisherPharmaceutical Society of Japan
dc.subjectBinding
dc.subjectDocking
dc.subjectIndolylalkylarylpiperazine
dc.subjectSynthesis
dc.subject3 [3 (4 pyrimidin 2 yl 1 piperazinyl) propyl] 1h indol
dc.subject3 [3 [4 (2 methoxyphenyl) 1 piperazinyl] propyl] 1h indol
dc.subjectaspartic acid
dc.subjectindole derivative
dc.subjectligand
dc.subjectpiperazine
dc.subjectserotonin 1A receptor
dc.subjectunclassified drug
dc.subjectindole derivative
dc.subjectpiperazine derivative
dc.subjectserotonin 1A receptor
dc.subjectarticle
dc.subjectbinding affinity
dc.subjectcontrolled study
dc.subjectdrug synthesis
dc.subjecthuman
dc.subjecthuman cell
dc.subjectmolecular docking
dc.subjectreceptor affinity
dc.subjectbinding site
dc.subjectchemistry
dc.subjectcomputer simulation
dc.subjectmetabolism
dc.subjectprotein tertiary structure
dc.subjectstructure activity relation
dc.subjectsynthesis
dc.subjectAspartic Acid
dc.subjectBinding Sites
dc.subjectComputer Simulation
dc.subjectHumans
dc.subjectIndoles
dc.subjectPiperazines
dc.subjectProtein Structure, Tertiary
dc.subjectReceptor, Serotonin, 5-HT1A
dc.subjectStructure-Activity Relationship
dc.titleSynthesis, 5-hydroxytryptamine1A receptor affinity and docking studies of 3-[3-(4-aryl-1-piperazinyl)-propyl]-1H-indole derivatives
dc.typeArticle


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