ArticleChemMedChem2021
Design and Synthesis of DDR1 Inhibitors with a Desired Pharmacophore Using Deep Generative Models.
Article in ChemMedChem, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 43 citations in OpenAlex.
- Molecular Design with Artificial Intelligence: Progress and Perspectives for Small Molecules.Chemical reviews · 2026Review
- Explanatory review on DDR inhibitors: their biological activity, synthetic route, and structure-activity relationship.Molecular diversity · 2025Review
- Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey.Journal of chemical information and modeling · 2025Review
- Discoidin Domain Receptors in Tumor Biology and Immunology: Progression and Challenge.Biomolecules · 2025Review
- Emerging strategies and translational advancements of DDR1 in oncology.Discover oncology · 2025Review
- Virtual screening: hope, hype, and the fine line in between.Expert opinion on drug discovery · 2025Review
- Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning.JACS Au · 2024Article
- Sample efficient reinforcement learning with active learning for molecular design.Chemical science · 2024Article
- Virtual screening for potential discoidin domain receptor 1 (DDR1) inhibitors based on structural assessment.Molecular diversity · 2023Article
- Deep learning driven de novo drug design based on gastric proton pump structures.Communications biology · 2023Article
- The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry.ACS medicinal chemistry letters · 2023Review
- Cheminformatics and artificial intelligence for accelerating agrochemical discovery.Frontiers in chemistry · 2023Review
- Inhibitors of Discoidin Domain Receptor (DDR) Kinases for Cancer and Inflammation.Biomolecules · 2021Review
- The Journey of DDR1 and DDR2 Kinase Inhibitors as Rising Stars in the Fight Against Cancer.International journal of molecular sciences · 2021Review
- Design and Synthesis of DDR1 Inhibitors with a Desired Pharmacophore Using Deep Generative Models.ChemMedChem · 2021Article
Corrections and comments
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Authors and funding
10 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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)phenyl)-3-(trifluoromethyl)benzamide), had an IC
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.