AIMC Topic: Antineoplastic Agents

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Accelerated Discovery of : A Potent MALT1 Allosteric Inhibitor for the Treatment of Mature B-Cell Malignancies.

Journal of medicinal chemistry
MALT1 is a key component of the CARD11-BCL10-MALT1 (CBM) complex downstream from BTK on the B-cell receptor signaling pathway. It is a key mediator of NF-κB signaling and considered a potential therapeutic target for several subtypes of non-Hodgkin's...

GLA-Synergy: An Interpretable Global-Local Adaptive Framework for Drug Synergy Prediction in Cancer Treatment.

Journal of chemical information and modeling
Effective anticancer drug combinations are crucial for advancing cancer treatment, yet predicting drug synergy remains challenging due to the complexity of biological interactions. Existing methods struggle to integrate multimodal features and to mod...

Optimizing breast cancer chemotherapy by harnessing gut microbiota with insights from artificial intelligence.

NPJ biofilms and microbiomes
Optimizing chemotherapy for breast cancer (BC) remains a critical challenge. Gut microbiota (GM) dysbiosis, varying across BC subtypes and stages, influences BC development and chemotherapy response through immune and metabolic pathways. Chemotherapy...

Overcoming the tumor microenvironment in pancreatic cancer barrier-specific nanoparticle drug delivery.

Nanoscale
Pancreatic cancer is one of the most lethal malignancies, largely due to the formidable pathophysiological barriers presented by its tumor microenvironment (TME). These include metabolic stress, such as acidosis and elevated reactive oxygen species; ...

Next-generation nanocarriers for colorectal cancer: passive, active, and stimuli-responsive strategies for precision therapy.

Biomaterials science
Colorectal cancer (CRC) remains a major global health burden, necessitating more effective and selective therapeutic approaches. Nanocarrier-based drug delivery systems offer significant advantages by enhancing drug accumulation in tumors, reducing o...

The Road to Precision Nanomedicine: An Insight on Drug Repurposing and Advances in Nanoformulations for Treatment of Cancer.

AAPS PharmSciTech
Cancer remains one of the most significant global health challenges, with its burden continuing to rise. The limitations of conventional anticancer therapies caused by the lack of tissue selectivity, demands urgent development of safer and more selec...

Developing a predictive QSAR model for FGFR-1 inhibitors: integrating computational and experimental validation.

Journal of computer-aided molecular design
The traditional drug discovery process is often lengthy, costly, and characterized by a high failure rate. There is a pressing need for innovative strategies to optimize this process and improve the chances of identifying effective therapeutic candid...

Immune system development-related signature predicts prognosis and sorafenib-treatment resistance of hepatocellular carcinoma by intergrating machine learning and single-cell analyses.

Scientific reports
The development of the immune system (ISD) plays a pivotal role in both the genesis and progression of tumors, yet its specific functions in hepatocellular carcinoma (HCC) and the mechanisms behind sorafenib resistance remain elusive. In our investig...

Identification of a novel Aurora B inhibitor using the AI-driven drug screening and docking-based traditional screening.

Bioorganic & medicinal chemistry
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...

Fuzzy and fractional analysis of cancer tumor dynamics with depression effects on chemotherapy.

Scientific reports
Cancer is a complex and heterogeneous condition marked by the unchecked growth and dissemination of abnormal cells, posing significant challenges in detection, treatment, and patient care. As one of the leading global causes of death, a deep understa...