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Synthesis, biological evaluation and molecular modelling of 2,4-disubstituted-5-(6-alkylpyridin-2-yl)-1H-imidazoles as ALK5 inhibitors.


ABSTRACT: A series of 2,4-disubstituted-5-(6-alkylpyridin-2-yl)-1H-imidazoles, 7a-c, 11a-h, and 16a-h has been synthesised and evaluated for their ALK5 inhibitory activity in an enzyme assay and in a cell-based luciferase reporter assay. Incorporation of a quinoxalin-6-yl moiety and a methylene linker at the 4- and 2-position of the imidazole ring, respectively, and a m-CONH2 substituent in the phenyl ring generated a highly potent and selective ALK5 inhibitor 11e. Docking model of ALK5 in complex with 11e showed that it fitted well in the ATP-binding pocket with favourable interactions.

SUBMITTER: Park MS 

PROVIDER: S-EPMC7144182 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Synthesis, biological evaluation and molecular modelling of 2,4-disubstituted-5-(6-alkylpyridin-2-yl)-1<i>H</i>-imidazoles as ALK5 inhibitors.

Park Myoung-Soon MS   Park Hyun-Ju HJ   An Young Jae YJ   Choi Joon Hun JH   Cha Geunyoung G   Lee Hwa Jeong HJ   Park So-Jung SJ   Dewang Purushottam M PM   Kim Dae-Kee DK  

Journal of enzyme inhibition and medicinal chemistry 20201201 1


A series of 2,4-disubstituted-5-(6-alkylpyridin-2-yl)-1<i>H</i>-imidazoles, <b>7a-c</b>, <b>11a-h</b>, and <b>16a-h</b> has been synthesised and evaluated for their ALK5 inhibitory activity in an enzyme assay and in a cell-based luciferase reporter assay. Incorporation of a quinoxalin-6-yl moiety and a methylene linker at the 4- and 2-position of the imidazole ring, respectively, and a <i>m-</i>CONH<sub>2</sub> substituent in the phenyl ring generated a highly potent and selective ALK5 inhibitor  ...[more]

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