AIMC Topic: Dose-Response Relationship, Drug

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Machine learning approach for dosage individualization of azithromycin in children with community-acquired pneumonia.

British journal of clinical pharmacology
AIMS: The uncertainty about the efficacy and safety of currently used azithromycin dosing regimens in children warrants individualized therapy. The area under the plasma concentration-time curve over 24 h (AUC) of azithromycin correlates best with it...

Random forest and Shapley Additive exPlanations predict oxytocin targeted effects on brain functional networks involved in salience and sensorimotor processing, in a randomized clinical trial in autism.

Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology
Intranasal oxytocin (IN-OXT) has shown some promises in rescuing social deficits in autism spectrum disorder (ASD) as well as some inconsistencies in long-term trials. We conducted a target engagement study to study the precise effects of different d...

Machine Learning-Driven Discovery of Structurally Related Natural Products as Activators of the Cardiac Calcium Pump SERCA2a.

ChemMedChem
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
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....

EC and EC of Remifentanil for Inhibiting Bronchoscopy Responses in Elderly Patients During Fiberoptic Bronchoscopy Under Ciprofol Sedation: An Up-and-Down Sequential Allocation Trial.

Drug design, development and therapy
BACKGROUND: Opioids are used to suppress cough during fiberoptic bronchoscopy (FOB). However, evidence regarding the optimal dose of remifentanil during FOB under ciprofol sedation is limited. This study aimed to investigate the effective concentrati...

Improving the prediction of chemotherapy dose-limiting toxicity in colon cancer patients using an AI-CT-based 3D body composition of the entire L1-L5 lumbar spine.

Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer
PURPOSE: Chemotherapy dose-limiting toxicities (DLT) pose a significant challenge in successful colon cancer treatment. Body composition analysis may enable tailored interventions thereby supporting the mitigation of chemotherapy toxic effects. This ...

The Effect of Intravenous Lidocaine on EC50 of Remifentanil for Preventing Cough During Emergence in Female for Thyroid Surgery Anesthesia.

Drug design, development and therapy
OBJECTIVE: To evaluate the effect of intravenous lidocaine injection on the half-maximum effective concentration (EC50) of remifentanil in preventing cough due to tracheal extubation in female patients undergoing thyroid surgery by Dixon's sequential...

Cubosomes as Delivery System to Repositioning Nitrofurantoin in Breast Cancer Management.

Drug design, development and therapy
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...

Toward Dose Prediction at Point of Design.

Journal of medicinal chemistry
Human dose prediction (HDP) is a useful tool for compound optimization in preclinical drug discovery. We describe here our exclusively in silico HDP strategy to triage compound designs for synthesis and experimental profiling. Our goal is a model tha...