Design and Synthesis of DDR1 Inhibitors with a Desired Pharmacophore Using Deep Generative Models.
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ABSTRACT:
SUBMITTER: Yoshimori A
PROVIDER: S-EPMC8048584 | biostudies-literature | 2021 Mar
REPOSITORIES: biostudies-literature
Publications
Design and Synthesis of DDR1 Inhibitors with a Desired Pharmacophore Using Deep Generative Models.
Yoshimori Atsushi A Asawa Yasunobu Y Kawasaki Enzo E Tasaka Tomohiko T Matsuda Seiji S Sekikawa Toru T Tanabe Satoshi S Neya Masahiro M Natsugari Hideaki H Kanai Chisato C
ChemMedChem 20210115 6
Discoidin domain receptor 1 (DDR1) inhibitors with a desired pharmacophore were designed using deep generative models (DGMs). DDR1 is a receptor tyrosine kinase activated by matrix collagens and implicated in diseases such as cancer, fibrosis and hypoxia. Herein we describe the synthesis and inhibitory activity of compounds generated from DGMs. Three compounds were found to have sub-micromolar inhibitory activity. The most potent of which, compound 3 (N-(4-chloro-3-((pyridin-3-yloxy)methyl)pheny ...[more]
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