European journal of medicinal chemistry
Nov 6, 2025
Triple-negative breast cancer (TNBC) is an aggressive subtype of breast cancer with limited treatment options. Wee1 kinase, a critical regulator of the G2/M checkpoint and DNA replication, is a promising therapeutic target. However, dose dependent as...
AlphaFold, a deep learning-based platform widely used to predict protein and peptide structures, was employed in this study to model the self-assembling peptide RFC, which demonstrated a stable α-helical structure with high confidence. This structura...
Aurora B, a subtype of Aurora kinases that functions as a serine/threonine kinase, playing a vital role in the process of mitosis, is often overexpressed in certain tumor cells leading to tumorigenesis and progression. Therefore, the development of s...
To address the toxicity of current microtubule inhibitors, we employed the GeminiMol deep learning model to screen the Zinc20 database, identifying a novel 4,5-dihydropyrrolo[3,4-]pyrazol-6(2)-one scaffold () targeting the colchicine binding site. Su...
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie
Aug 2, 2025
Despite therapeutic advancements, metastatic and nonmetastatic castration-resistant prostate cancer (mCRPC and nmCRPC) remain incurable due to drug resistance, partly due to Androgen receptor (AR) gene abnormalities and splice variants. An Augmented ...
The tumor microenvironment plays a critical role in tumor progression and immune response, with the extracellular matrix (ECM) regulating immune cell infiltration. However, the interplay between ECM dynamics and tumor immunity remains poorly understo...
Cancer remains a leading global cause of death, primarily driven by the uncontrolled proliferation of abnormal cells. Malignant tumors, such as carcinomas, originate from unchecked epithelial cell growth and produce growth factors like FGF and VEGF, ...
Focal adhesion kinase (FAK) is a critical drug target implicated in various disease pathways, including hematological malignancies and breast cancer. Therefore, identifying FAK inhibitors with novel scaffolds could offer new opportunities for develop...
International journal of molecular sciences
Mar 10, 2025
In recent years, many approved drugs have been discovered using phenotypic screening, which elaborates the exact mechanisms of action or molecular targets of drugs. Drug susceptibility prediction is an important type of phenotypic screening. Large-sc...
PURPOSE: Nitrofurantoin (NITRO), a long-standing antibiotic to treat urinary tract infections, is activated by Nitro reductases. This activation mechanism has led to its exploration for repositioning applications in controlling and treating breast ca...
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