AIMC Topic: Antineoplastic Agents

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Selective cytotoxicity of anhydroicaritin in ER-positive breast cancer via ESR1-mediated MAPK and apoptotic signaling.

Chemico-biological interactions
Anhydroicaritin (AHI), a chemically characterized prenylated flavonoid, exhibits strong and selective cytotoxicity against estrogen receptor-positive (ER+) breast cancer cells. In this study, we aimed to elucidate its molecular and cellular toxicolog...

Targeted inhibition of gastric adenocarcinoma by nano-curcumin liposomes: Insights from combined machine learning and experimental analyses into the mechanisms of cuproptosis and metabolic reprogramming.

International journal of pharmaceutics
PURPOSE: Gastric adenocarcinoma is a highly aggressive malignancy characterized by a complex tumor microenvironment. Nano-curcumin liposomes hold great potential in inhibiting tumor growth and survival, as well as inducing cuproptosis and oxidative s...

Synergistic approach utilizing bioinformatics, machine learning, and traditional screening for the identification of novel CSK inhibitors targeting hepatocellular carcinoma.

Journal of computer-aided molecular design
The overexpression or activation of C-terminal Src kinase (CSK) has been recognized as a pivotal factor in the progression of hepatocellular carcinoma (HCC), positioning CSK as a promising therapeutic target. Despite this potential, no CSK-specific i...

Drug repurposing identifies novel Wee1 kinase inhibitors for triple negative breast cancer therapeutics.

European journal of medicinal chemistry
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...

DeepEGFR a graph neural network for bioactivity classification of EGFR inhibitors.

Scientific reports
Epidermal Growth Factor Receptor (EGFR) plays a critical role in the development of several cancers. Thus, modulation/inhibition of EGFR activity is an appealing target of developing novel cancer therapeutics. With the advent of modern machine learni...

Predicted peptide scaffolds for drug screening in endometrial cancer organoids.

Scientific reports
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...

3d electron cloud descriptors for enhanced QSAR modeling of anti-colorectal cancer compounds.

Journal of computer-aided molecular design
To address limitations of conventional Quantitative Structure-Activity Relationship (QSAR) descriptors in capturing molecular electronic and spatial complexity, we developed a high-dimensional framework using three-dimensional electron density featur...

Ultrasound-responsive nanocarriers for cancer therapy: Physiochemical features-directed design.

Journal of controlled release : official journal of the Controlled Release Society
The design of ultrasound (US)-responsive nanocarriers (URNs) guided by their physicochemical characteristics represents a pivotal strategy for advancing cancer therapy. By exploiting the intrinsic physicochemical properties of diverse nanocarriers, i...

Multi-layer stratified oncology platform utilizing transcriptomics, prostate cancer organoids, and modeling of drug response.

Journal of experimental & clinical cancer research : CR
The high intra-patient heterogeneity in multifocal primary prostate cancer (PCa) has curtailed the efficacy of current treatment options. By employing twin biopsies from multiple lesions with matched patient-derived organoids (PDO) models, the PCa mo...

SLC25A39 regulates Hedgehog signaling to promote tumor progression and sorafenib resistance in hepatocellular carcinoma.

Scientific reports
Sorafenib is the standard treatment for advanced hepatocellular carcinoma (HCC), yet resistance limits its efficacy. The Hedgehog (HH) signaling pathway contributes to drug resistance by maintaining HCC stem cell characteristics, but its role at the ...