ArticleOncotarget2018
Accelerated bottom-up drug design platform enables the discovery of novel stearoyl-CoA desaturase 1 inhibitors for cancer therapy.
Article in Oncotarget, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
What it found
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
26 citing papers in PubMed.
- Targeting the lipid desaturation network in cancer: from metabolic plasticity to precision therapeutics.Journal of experimental & clinical cancer research : CR · 2026Review
- The SCD inhibitor MTI-301 reduces steatohepatitis and ratio of C18:1/C18:0 levels in diet-induced murine models of MASH.Scientific reports · 2026Article
- Investigating the effect of stearoyl-coenzyme desaturase 1 Inhibition on inflammatory and anti-inflammatory patterns in luminal A breast cancer patients' peripheral blood mononuclear cells.Discover oncology · 2025Article
- Exploring Metabolic Approaches for Epithelial Ovarian Cancer Therapy.Journal of cellular physiology · 2025Review
- Article
- An insight into advances and challenges in the development of potential stearoyl Co-A desaturase 1 inhibitors.RSC advances · 2024Review
- Modeling Lewy body disease withScience advances · 2024Article
- Hacking the Lipidome: New Ferroptosis Strategies in Cancer Therapy.Biomedicines · 2024Review
- Advances in Targeted Drug Resistance Associated with Dysregulation of Lipid Metabolism in Hepatocellular Carcinoma.Journal of hepatocellular carcinoma · 2024Review
- Protein structure-based in-silico approaches to drug discovery: Guide to COVID-19 therapeutics.Molecular aspects of medicine · 2023Review
- ADAR1-mediated RNA editing of SCD1 drives drug resistance and self-renewal in gastric cancer.Nature communications · 2023Article
- PETrans: De Novo Drug Design with Protein-Specific Encoding Based on Transfer Learning.International journal of molecular sciences · 2023Article
- Fatty acid metabolism reprogramming in ccRCC: mechanisms and potential targets.Nature reviews. Urology · 2023Review
- Molecular Modeling and Phenotypic Description of a Patient with a Novel Exonic Deletion ofMolecular syndromology · 2022Article
- Targeting lipid metabolism in the treatment of ovarian cancer.Oncotarget · 2022Review
- Dual-tracer positron emission tomography/computed tomography as an imaging probe ofFrontiers in medicine · 2022Article
- Attacking COVID-19 Progression Using Multi-Drug Therapy for Synergetic Target Engagement.Biomolecules · 2021Article
- Stearoyl-CoA Desaturase-Mediated Monounsaturated Fatty Acid Availability Supports Humoral Immunity.Cell reports · 2021Article
- Lipid Metabolism and Resistance to Anticancer Treatment.Biology · 2020Review
- Lipids and cancer: Emerging roles in pathogenesis, diagnosis and therapeutic intervention.Advanced drug delivery reviews · 2020Review
Corrections and comments
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Authors and funding
14 authors.
Funding
Abstract
Here we present an innovative computational-based drug discovery strategy, coupled with machine-based learning and functional assessment, for the rational design of novel small molecule inhibitors of the lipogenic enzyme stearoyl-CoA desaturase 1 (SCD1). Our methods resulted in the discovery of several unique molecules, of which our lead compound SSI-4 demonstrates potent anti-tumor activity, with an excellent pharmacokinetic and toxicology profile. We improve upon key characteristics, including chemoinformatics and absorption/distribution/metabolism/excretion (ADME) toxicity, while driving the IC50 to 0.6 nM in some instances. This approach to drug design can be executed in smaller research settings, applied to a wealth of other targets, and paves a path forward for bringing small-batch based drug programs into the Clinic.
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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.