AIMC Topic: Dose-Response Relationship, Drug
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Applying exposure-response analysis to enhance Mycophenolate Mofetil dosing precision in pediatric patients with immune-mediated renal diseases by machine learning models.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
May 28, 2025
BACKGROUND: Mycophenolate mofetil (MMF), a cornerstone immunosuppressant for lupus nephritis, is increasingly used off-label in pediatric immune-mediated renal diseases. The aims of this study were to develop and validate pharmacokinetic models for m...
Analysis of the heterogeneous treatment effect of vasoactive drug dosage and time on hospital mortality across different sepsis phenotypes: a retrospective cohort study.
European journal of medical research
May 24, 2025
BACKGROUND: The heterogeneity of sepsis poses challenges for the individualized treatment of vasoactive drugs.
Learning double balancing representation for heterogeneous dose-response curve estimation.
Neural networks : the official journal of the International Neural Network Society
May 22, 2025
Estimating the individuals' potential response to varying treatment doses is crucial for decision-making in areas such as precision medicine and management science. Most recent studies predict counterfactual outcomes by learning a covariate represent...
Prediction of High-Dose Methotrexate Blood Concentration in Osteosarcoma Patients Using Machine Learning.
Drug design, development and therapy
May 3, 2025
INTRODUCTION: High-dose methotrexate is a typical chemotherapy that is widely used in the treatment of osteosarcoma. However, the unique dose-response relationship of methotrexate makes its treatment window relatively narrow, and its clinical use is ...
Toxicological evaluation of Artocarpus lacucha ethyl acetate extract: in vitro and in vivo assessment.
Journal of ethnopharmacology
Apr 12, 2025
ETHNOPHARMACOLOGICAL RELEVANCE: Artocarpus lacucha Buch. -Ham. (syn. Artocarpus lakoocha) (A. lacucha), is a tropical fruit tree and a member of the Moraceae family. Fruit, bark, foliage, and roots of A. lacucha are broadly utilized in folklore medic...
The efficacy and toxicity equilibrium of emodin for liver injury: A bidirectional meta-analysis and machine learning.
Phytomedicine : international journal of phytotherapy and phytopharmacology
Apr 11, 2025
BACKGROUND: Emodin, a hepatoprotective agent derived from various herbs, exhibits dual effects on liver injury, necessitating further investigation into its therapeutic and toxic properties. Traditional meta-analyses lack predictive capability for do...
Safety assessment of the ethanolic extract of Siparuna guianensis: Cell viability, molecular risk predictions and toxicity risk for acute and sub-chronic oral ingestion.
Journal of ethnopharmacology
Apr 5, 2025
ETHNOPHARMACOLOGICAL RELEVANCE: The species Siparuna guianensis Aublet (family Siparunaceae) is traditionally used by indigenous peoples and riverine communities in Central and South America to treat migraines, flu, respiratory diseases, fever, pain,...
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...
Protein Kinase Inhibitors
Focal Adhesion Kinase 1
Focal Adhesion Protein-Tyrosine Kinases
Structure-Activity Relationship
Molecular Structure
Molecular Dynamics Simulation
Drug Evaluation, Preclinical
Female
Breast Neoplasms
Molecular Docking Simulation
Drug Discovery
Humans
Antineoplastic Agents
Cell Proliferation
Dose-Response Relationship, Drug
Drug Screening Assays, Antitumor
Machine Learning-Driven Discovery of Structurally Related Natural Products as Activators of the Cardiac Calcium Pump SERCA2a.
ChemMedChem
Feb 6, 2025
A key molecular dysfunction in heart failure is the reduced activity of the cardiac sarcoplasmic reticulum Ca-ATPase (SERCA2a) in cardiac muscle cells. Reactivating SERCA2a improves cardiac function in heart failure models, making it a validated targ...
Using machine learning models to predict the dose-effect curve of municipal wastewater for zebrafish embryo toxicity.
Journal of hazardous materials
Jan 20, 2025
Municipal wastewater substantially contributes to aquatic ecological risks. Assessing the toxicity of municipal wastewater through dose-effect curves is challenging owing to the time-consuming, labor-intensive, and costly nature of biological assays....
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