A 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-hydroxytryptamine(1A) receptor (5-HT1AR) compounds (12b) and (12h) showed the highest 5-HT1A receptor affinity (IC50=15nM). 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 Aspartate(3.32).
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%0 Journal Article
%1 RN73
%A Pessoa-Mahana, H.
%A Nunez, C.U.
%A Araya-Maturana, R.
%A Barria, C.S.
%A Zapata-Torres, G.
%A Pessoa-Mahana, C.D.
%A Iturriaga-Vasquez, P.
%A Mella-Raipan, J.
%A Reyes-Parada, M.
%A Celis-Barros, C.
%D 2012
%J Chemical & Pharmaceutical Bulletin
%K 5-ht1a, 5-hydroxytryptamine(1a) agonists, antidepressant, arylpiperazine automated binding, derivatives, docking, dqcauchile indoles, indolylalkylarylpiperazine, inhibitors ligands, receptor, selectivity, serotonin, substituted synthesis,
%N 5
%P 632-638
%R DOI 10.1248/cpb.60.632
%T Synthesis, 5-Hydroxytryptamine(1a) Receptor Affinity and Docking Studies of 3-3-(4-Aryl-1-Piperazinyl)-Propyl-1h-Indole Derivatives
%U /brokenurl#<Go to ISI>://WOS:000303293000009
%V 60
%X A 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-hydroxytryptamine(1A) receptor (5-HT1AR) compounds (12b) and (12h) showed the highest 5-HT1A receptor affinity (IC50=15nM). 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 Aspartate(3.32).
@article{RN73,
abstract = {A 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-hydroxytryptamine(1A) receptor (5-HT1AR) compounds (12b) and (12h) showed the highest 5-HT1A receptor affinity (IC50=15nM). 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 Aspartate(3.32).},
added-at = {2019-12-04T03:57:35.000+0100},
author = {Pessoa-Mahana, H. and Nunez, C.U. and Araya-Maturana, R. and Barria, C.S. and Zapata-Torres, G. and Pessoa-Mahana, C.D. and Iturriaga-Vasquez, P. and Mella-Raipan, J. and Reyes-Parada, M. and Celis-Barros, C.},
biburl = {https://www.bibsonomy.org/bibtex/25991d389a62b8ff5018af219e8b952b0/dqcauchile},
doi = {DOI 10.1248/cpb.60.632},
interhash = {dd95db288cb8e0b2b2bc59ce39c04344},
intrahash = {5991d389a62b8ff5018af219e8b952b0},
issn = {0009-2363},
journal = {Chemical & Pharmaceutical Bulletin},
keywords = {5-ht1a, 5-hydroxytryptamine(1a) agonists, antidepressant, arylpiperazine automated binding, derivatives, docking, dqcauchile indoles, indolylalkylarylpiperazine, inhibitors ligands, receptor, selectivity, serotonin, substituted synthesis,},
number = 5,
pages = {632-638},
timestamp = {2019-12-04T03:58:17.000+0100},
title = {Synthesis, 5-Hydroxytryptamine(1a) Receptor Affinity and Docking Studies of 3-[3-(4-Aryl-1-Piperazinyl)-Propyl]-1h-Indole Derivatives},
type = {Journal Article},
url = {/brokenurl#<Go to ISI>://WOS:000303293000009},
volume = 60,
year = 2012
}