AIMC Topic: Drug Screening Assays, Antitumor

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Machine Learning-Enhanced Single-Particle Tracking for Rapid Screening of Tumor Immunomodulatory Drugs.

ACS nano Jul 21, 2025
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...
Humans Machine Learning Tumor Microenvironment Animals Drug Screening Assays, Antitumor Quantum Dots Extracellular Matrix Immunomodulating Agents Neoplasms Antineoplastic Agents Cell Line, Tumor Mice
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Discovery and characterization of novel FAK inhibitors for breast cancer therapy via hybrid virtual screening, biological evaluation and molecular dynamics simulations.

Bioorganic chemistry Mar 26, 2025
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...
Drug Evaluation, Preclinical Protein Kinase Inhibitors Focal Adhesion Kinase 1 Focal Adhesion Protein-Tyrosine Kinases Drug Discovery Antineoplastic Agents Cell Proliferation Dose-Response Relationship, Drug Drug Screening Assays, Antitumor Structure-Activity Relationship Humans Molecular Structure Female Molecular Dynamics Simulation Breast Neoplasms Molecular Docking Simulation
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Cancer Drug Sensitivity Prediction Based on Deep Transfer Learning.

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...
Precision Medicine Neoplasms Antineoplastic Agents Deep Learning Humans Cell Line, Tumor Computational Biology Drug Screening Assays, Antitumor Drug Resistance, Neoplasm
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Cubosomes as Delivery System to Repositioning Nitrofurantoin in Breast Cancer Management.

Drug design, development and therapy Dec 19, 2024
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...
Particle Size Drug Delivery Systems MCF-7 Cells Nitrofurantoin Cell Proliferation Humans Structure-Activity Relationship Drug Repositioning Dose-Response Relationship, Drug Female Drug Screening Assays, Antitumor Cell Survival Breast Neoplasms
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Ultradense Electrochemical Chip and Machine Learning for High-Throughput, Accurate Anticancer Drug Screening.

ACS sensors Nov 29, 2024
Despite the potentialities of electrochemical sensors, these devices still encounter challenges in devising high-throughput and accurate drug susceptibility testing. The lack of platforms for providing these analyses over the preclinical trials of dr...
High-Throughput Screening Assays Humans Machine Learning Antineoplastic Agents Cell Line, Tumor Cell Survival Drug Screening Assays, Antitumor Electrochemical Techniques Doxorubicin
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Integration of Machine Learning and Experimental Validation to Identify Anoikis-Related Prognostic Signature for Predicting the Breast Cancer Tumor Microenvironment and Treatment Response.

Genes Nov 12, 2024
Anoikis-related genes (ANRGs) are crucial in the invasion and metastasis of breast cancer (BC). The underlying role of ANRGs in the prognosis of breast cancer patients warrants further study. The anoikis-related prognostic signature (ANRS) was gene...
Predictive Value of Tests Drug Screening Assays, Antitumor Gene Expression Blotting, Western Immunotherapy Enzyme-Linked Immunosorbent Assay Treatment Outcome Databases, Genetic Imatinib Mesylate Proportional Hazards Models Anoikis Tumor Microenvironment Biomarkers, Tumor Female Middle Aged Antineoplastic Agents Reproducibility of Results Gene Expression Profiling Aged Transcriptome Breast Neoplasms Real-Time Polymerase Chain Reaction Reverse Transcriptase Polymerase Chain Reaction Machine Learning Prognosis
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Wee1 inhibitor optimization through deep-learning-driven decision making.

European journal of medicinal chemistry Sep 29, 2024
Deep learning has gained increasing attention in recent years, yielding promising results in hit screening and molecular optimization. Herein, we employed an efficient strategy based on multiple deep learning techniques to optimize Wee1 inhibitors, w...
Humans Antineoplastic Agents Deep Learning Cell Line, Tumor Cell Proliferation Structure-Activity Relationship Molecular Structure Protein Kinase Inhibitors Dose-Response Relationship, Drug Cell Cycle Proteins Protein-Tyrosine Kinases Decision Making Drug Screening Assays, Antitumor
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Multitask Learning on Graph Convolutional Residual Neural Networks for Screening of Multitarget Anticancer Compounds.

Journal of chemical information and modeling Aug 28, 2024
Recently, various modern experimental screening pipelines and assays have been developed to find promising anticancer drug candidates. However, it is time-consuming and almost infeasible to screen an immense number of compounds for anticancer activit...
Antineoplastic Agents Drug Screening Assays, Antitumor Drug Evaluation, Preclinical Humans Neural Networks, Computer Machine Learning Neoplasms
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From Deep Learning to the Discovery of Promising VEGFR-2 Inhibitors.

ChemMedChem Jun 20, 2024
Vascular endothelial growth factor receptor 2 (VEGFR-2) stands as a prominent therapeutic target in oncology, playing a critical role in angiogenesis, tumor growth, and metastasis. FDA-approved VEGFR-2 inhibitors are associated with diverse side effe...
Structure-Activity Relationship Humans Molecular Structure Vascular Endothelial Growth Factor Receptor-2 Cell Line, Tumor Protein Kinase Inhibitors Cell Proliferation Dose-Response Relationship, Drug Drug Screening Assays, Antitumor Molecular Docking Simulation Drug Discovery Antineoplastic Agents Deep Learning
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Deep learning unlocks label-free viability assessment of cancer spheroids in microfluidics.

Lab on a chip Jun 11, 2024
Despite recent advances in cancer treatment, refining therapeutic agents remains a critical task for oncologists. Precise evaluation of drug effectiveness necessitates the use of 3D cell culture instead of traditional 2D monolayers. Microfluidic plat...
Lab-On-A-Chip Devices Spheroids, Cellular Microfluidic Analytical Techniques Deep Learning Cell Line, Tumor Humans Cell Survival Antineoplastic Agents Drug Screening Assays, Antitumor
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