Synthesis and In Vitro Evaluation of Novel Dopamine Receptor D-2 3,4-dihydroquinolin-2(1H)-one Derivatives Related to Aripiprazole

Jůza, Radomír; Stefkova, Kristyna; Dehaen, Wim; Randakova, Alena; Petrasek, Tomas; Vojtechova, Iveta; Kobrlova, Tereza; Pulkrabkova, Lenka; Muckova, Lubica; Mecava, Marko; Prchal, Lukas; Mezeiova, Eva; Musílek, Kamil; Soukup, Ondrej; Korabecny, Jan

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dc.rights.license	CC BY	eng
dc.contributor.author	Jůza, Radomír	cze
dc.contributor.author	Stefkova, Kristyna	cze
dc.contributor.author	Dehaen, Wim	cze
dc.contributor.author	Randakova, Alena	cze
dc.contributor.author	Petrasek, Tomas	cze
dc.contributor.author	Vojtechova, Iveta	cze
dc.contributor.author	Kobrlova, Tereza	cze
dc.contributor.author	Pulkrabkova, Lenka	cze
dc.contributor.author	Muckova, Lubica	cze
dc.contributor.author	Mecava, Marko	cze
dc.contributor.author	Prchal, Lukas	cze
dc.contributor.author	Mezeiova, Eva	cze
dc.contributor.author	Musílek, Kamil	cze
dc.contributor.author	Soukup, Ondrej	cze
dc.contributor.author	Korabecny, Jan	cze
dc.date.accessioned	2025-12-05T10:26:05Z
dc.date.available	2025-12-05T10:26:05Z
dc.date.issued	2021	eng
dc.identifier.issn	2218-273X	eng
dc.identifier.uri	http://hdl.handle.net/20.500.12603/1305
dc.description.abstract	In this pilot study, a series of new 3,4-dihydroquinolin-2(1H)-one derivatives as potential dopamine receptor D-2 (D2R) modulators were synthesized and evaluated in vitro. The preliminary structure-activity relationship disclosed that compound 5e exhibited the highest D2R affinity among the newly synthesized compounds. In addition, 5e showed a very low cytotoxic profile and a high probability to cross the blood-brain barrier, which is important considering the observed affinity. However, molecular modelling simulation revealed completely different binding mode of 5e compared to USC-D301, which might be the culprit of the reduced affinity of 5e toward D2R in comparison with USC-D301.	eng
dc.format	p. "Article Number: 1262"	eng
dc.language.iso	eng	eng
dc.publisher	MDPI-Molecular diversity preservation international	eng
dc.relation.ispartof	Biomolecules, volume 11, issue: 9	eng
dc.subject	aripiprazole	eng
dc.subject	dopamine receptor	eng
dc.subject	blood-brain barrier	eng
dc.subject	molecular modeling studies	eng
dc.subject	schizophrenia	eng
dc.title	Synthesis and In Vitro Evaluation of Novel Dopamine Receptor D-2 3,4-dihydroquinolin-2(1H)-one Derivatives Related to Aripiprazole	eng
dc.type	article	eng
dc.identifier.obd	43877969	eng
dc.identifier.wos	000699332600001	eng
dc.identifier.doi	10.3390/biom11091262	eng
dc.publicationstatus	postprint	eng
dc.peerreviewed	yes	eng
dc.source.url	https://www.mdpi.com/2218-273X/11/9/1262	cze
dc.relation.publisherversion	https://www.mdpi.com/2218-273X/11/9/1262	eng
dc.rights.access	Open Access	eng