Results 231 to 240 of about 38,309 (309)

Patient therapy outcome modeling in cancer organoids is improved by cancer‐associated fibroblasts and organoid assembly convolution

Molecular Oncology, EarlyView.
Patient‐derived organoids (PDOs) from pancreatic, colorectal, and gastric cancers were used to evaluate standard and experimental therapies. Incorporating cancer‐associated fibroblasts (CAFs) into organoid cultures improved patient therapy outcome prediction.
Marcin Grochowski, Liudmyla Dolinchuk, Michał Jerzak, Albert Gandurski, Tomasz Grochowski, Weronika Wojtyś, Maciej Zadrożny, Wojciech Kaźmierczak, Małgorzata Lenarcik, Marta Matejak‐Górska, Radosław Samsel, Tomasz Olesiński, Dawid Walerych   +12 more
wiley   +1 more source

Discovery of TYR inhibitors from de novo molecular generation to dual-track lead optimization: "Competition" between AI and chemists. [PDF]

Sci Adv
Sun Y, Wang J, Chen W, Jiang X, Wang S, Zhi J, Li F, Feng M, Niu X, Ju B, Guo J, Bai R.   +11 more
europepmc   +1 more source

Epigenetic heterogeneity and plasticity in therapy‐induced tumor states through single‐cell multi‐omics

Molecular Oncology, EarlyView.
Single‐cell multi‐omics reveals epigenetic heterogeneity across therapy‐adaptive tumor states, including quiescent/dormant, drug‐tolerant persister, and EMT‐like phenotypes. By linking regulatory features with state‐associated biomarkers, these approaches inform biomarker‐guided therapeutic strategies for evolving tumors.
Hee Jung Kim, Hwiyeong Lee, Jin Hong, Daechan Park   +3 more
wiley   +1 more source

Computational Insights into Flavonoids for ADAMTS-5 Exosite Inhibition in Knee Osteoarthritis: Docking, MD Simulations, and Machine Learning-Guided Structure Prediction. [PDF]

Molecules
Bhatia M, Duraisamy N, Cherkaoui M.
europepmc   +1 more source

PAK1 activation drives divergent resistance mechanisms to aromatase inhibition and tamoxifen in a luminal: A breast cancer model

Molecular Oncology, EarlyView.
Breast cancer remains a major cause of cancer death in women, frequently developing endocrine therapy resistance. This study demonstrates that upregulated p21‐activated kinase 1 (PAK1) activity drives resistance to tamoxifen and long‐term estrogen deprivation in ER+ breast cancer models.
Luisa Schwarzmüller, Janina Müller, Efstathios‐Iason Vlachavas, Lukas Beumers, Lena Fleischhacker, Sara Burmester, Angelika Wörner, Sabine Karolus, Dominic Helm, Cindy Körner, Stefan Wiemann   +10 more
wiley   +1 more source

In Silico Identification of Dual-Action Compounds Targeting TLR2 and <i>Streptococcus mutans</i> Proteins for the Prevention of Early Childhood Caries. [PDF]

Dent J (Basel)
Guzmán-Flores JM, Meza-Rodríguez S, Vázquez-Jiménez SI, Medrano-González IDC, Gallegos-García BL, Hernández-Villalobos AL, Yañez-Acosta MF, Alonso-Sanchez CC.   +7 more
europepmc   +1 more source

Inhibition of cyclin‐dependent kinases 12/13 using CT7439 as a treatment for colorectal cancer with CDK12 upregulation

Molecular Oncology, EarlyView.
The proposed mechanism of action for the CDK12/13 inhibitor and cyclin K degrader, CT7439. CDK12/13 inhibition interrupts transcription elongation, leading to increased DNA damage that results in cell death. This agent is a potentially novel treatment option for patients with colorectal cancer. Created in BioRender. Cyclin‐dependent kinase (CDK) 12 and
Wylie K. Watlington, Divya L. Dayanidhi, Mohammad Zokaasadi, John B. Mantyh, Pelumi D. Olawuni, Gabrielle Rupprecht, Jeremy M. Force, Shannon McCall, Ashwani K. Bahl, David S. Hsu, Jason A. Somarelli   +10 more
wiley   +1 more source

Prodrug-ML: prodrug-likeness prediction via machine learning on sampled negative decoys. [PDF]

J Comput Aided Mol Des
Ugurlu SY, He S.
europepmc   +1 more source

In vitro and in silico modelling of ROS1‐positive non‐small cell lung cancer reveals fusion‐dependent tyrosine kinase inhibitor responses

Molecular Oncology, EarlyView.
Drug resistance limits treatment success in a subset of lung cancers driven by ROS1 gene alterations. Using patient‐derived cells and computer simulations, we studied three key mutations and how they affect five targeted drugs. The mutations reduced drug effectiveness in different ways by altering protein structure and behavior.
Farhan Ul Haq, Marc Terrones, Felicia Rodrigues Fortes, Anne Schepers, Alessia Denis, Christophe Deben, Ken Op de Beeck, Guy Van Camp, Geert Vandeweyer   +8 more
wiley   +1 more source

Integrative In Silico Identification of TP53-Associated Drug Repurposing Candidates in Lung Adenocarcinoma. [PDF]

Pharmaceuticals (Basel)
Tuncal A, Kalkan R.
europepmc   +1 more source