AIMC Topic: Cell Line, Tumor

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Machine-Learning-Driven Discovery of -Phenylbenzenesulfonamides as a Novel Chemotype for Lactate Dehydrogenase A Inhibition with Anti-Pancreatic Cancer Activity.

Journal of medicinal chemistry
Lactate dehydrogenase A (LDHA) is a promising target for cancer therapy due to its crucial role in aerobic glycolysis. Despite extensive efforts, the structural diversity of LDHA inhibitors remains limited. Here, we utilized machine learning techniqu...

Antimicrobial Peptides Design Using Deep Learning and Rational Modifications: Activity in Bacteria, Candida albicans, and Cancer Cells.

Current microbiology
Resistance to antimicrobial agents has become a global threat, estimated to cause 10-million deaths annually by 2050. Antimicrobial peptides are emerging as an alternative and offer advantages over traditional antibiotics. Antimicrobial peptides gene...

SPP1 promotes malignant characteristics and drug resistance in hepatocellular carcinoma by activating fatty acid metabolic pathway.

Functional & integrative genomics
Hepatocellular carcinoma (HCC) progression and prognosis are influenced by various molecular markers. This study aimed to identify the hub gene associated with HCC clinical characteristics and its role in HCC progression. Differentially expressed gen...

USP5-Mediated PD-L1 deubiquitination regulates immunotherapy efficacy in melanoma.

Journal of translational medicine
BACKGROUND: The role of post-translational modifications(PTMs) in PD-L1-mediated immune resistance and melanoma progression remains poorly understood.

Integrated Nanopore and short-read RNA sequencing identifies dysregulation of METTL3- m6A modifications in endocrine therapy- sensitive and resistant breast cancer cells.

Functional & integrative genomics
The role of epitranscriptomic changes in the development of acquired endocrine therapy (ET)- resistance in estrogen receptor α (ER) expressing breast cancer (BC) is unknown. We tested the hypothesis that inhibition of METTL3, the methyltransferase re...

Deep Learning-Based Classification of NSCLC-Derived Extracellular Vesicles Using AFM Nanomechanical Signatures.

Analytical chemistry
Nonsmall cell lung cancer (NSCLC) remains a leading cause of cancer-related mortality, with liquid biopsy emerging as a promising tool for noninvasive diagnostics. Extracellular vesicles (EVs) serve as molecular messengers of the tumor microenvironme...

Artificial intelligence-driven discovery of YH395A: A novel TGFβR1 inhibitor with potent anti-tumor activity against triple-negative breast cancer.

Cell communication and signaling : CCS
Characterized by high malignancy and limited treatment efficacy, triple-negative breast cancer (TNBC) remains a clinically challenging subtype within breast cancer classifications, marked by rapid progression and high mortality. Abnormal activation o...

Combining the NanaPPI Toolbox and AI-Driven Virtual Inhibitor Screening for the p53-MDM2 Interaction.

Analytical chemistry
High-throughput screening for inhibitors of protein-protein interactions (PPIs) provides vital information for therapeutic intervention in diseases driven by aberrant PPIs. Traditionally, the discovery of PPI inhibitors involves sequential steps: in ...

Multi-omics analysis identifies SNP-associated immune-related signatures by integrating Mendelian randomization and machine learning in hepatocellular carcinoma.

Scientific reports
Hepatocellular carcinoma (HCC) is a leading cause of cancer-related death globally, characterized by high morbidity and poor prognosis. The complex molecular and immune landscape of HCC makes accurate patient stratification and personalized treatment...