AIMC Topic: Blood-Brain Barrier
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Advances in brain-targeted delivery strategies and natural product-mediated enhancement of blood-brain barrier permeability.
Journal of nanobiotechnology
May 26, 2025
The blood-brain barrier (BBB) represents a formidable challenge in the treatment of neurological disorders, as it restricts the passage of most therapeutic agents into the central nervous system (CNS). Research in brain-targeted delivery strategies a...
GCN-BBB: Deep Learning Blood-Brain Barrier (BBB) Permeability PharmacoAnalytics with Graph Convolutional Neural (GCN) Network.
The AAPS journal
Apr 3, 2025
The Blood-Brain Barrier (BBB) is a selective barrier between the Central Nervous System (CNS) and the peripheral system, regulating the distribution of molecules. BBB permeability has been crucial in CNS-targeting drug development, such as glioblasto...
Multiple Instance Learning-Based Prediction of Blood-Brain Barrier Opening Outcomes Induced by Focused Ultrasound.
IEEE transactions on bio-medical engineering
Mar 21, 2025
OBJECTIVE: Targeted blood-brain barrier (BBB) opening using focused ultrasound (FUS) and micro/nanobubbles is a promising method for brain drug delivery. This study aims to explore the feasibility of multiple instance learning (MIL) in accurate and f...
Transcranial adaptive aberration correction using deep learning for phased-array ultrasound therapy.
Ultrasonics
Mar 14, 2025
This study aims to explore the feasibility of a deep learning approach to correct the distortion caused by the skull, thereby developing a transcranial adaptive focusing method for safe ultrasonic treatment in opening of the blood-brain barrier (BBB)...
Molecular Generation for CNS Drug Discovery and Design.
ACS chemical neuroscience
Mar 13, 2025
Computational drug design is a rapidly evolving field, especially the latest breakthroughs in generative artificial intelligence (GenAI) to create new compounds. However, the potential of GenAI to address the challenges in designing central nervous s...
Deep Learning Enhanced Near Infrared-II Imaging and Image-Guided Small Interfering Ribonucleic Acid Therapy of Ischemic Stroke.
ACS nano
Mar 5, 2025
Small interfering RNA (siRNA) targeting the NOD-like receptor family pyrin domain-containing 3 (NLRP3) inflammasome has emerged as a promising therapeutic strategy to mitigate infarct volume and brain injury following ischemic stroke. However, the cl...
Enhancing Blood-Brain Barrier Penetration Prediction by Machine Learning-Based Integration of Novel and Existing, In Silico and Experimental Molecular Parameters from a Standardized Database.
Journal of chemical information and modeling
Mar 4, 2025
Predicting blood-brain barrier (BBB) penetration is crucial for developing central nervous system (CNS) drugs, representing a significant hurdle in successful clinical phase I studies. One of the most valuable properties for this prediction is the po...
Prediction of the Extent of Blood-Brain Barrier Transport Using Machine Learning and Integration into the LeiCNS-PK3.0 Model.
Pharmaceutical research
Feb 10, 2025
INTRODUCTION: The unbound brain-to-plasma partition coefficient (K) is an essential parameter for predicting central nervous system (CNS) drug disposition using physiologically-based pharmacokinetic (PBPK) modeling. K values for specific compounds ar...
Uncovering blood-brain barrier permeability: a comparative study of machine learning models using molecular fingerprints, and SHAP explainability.
SAR and QSAR in environmental research
Jan 8, 2025
This study illustrates the use of chemical fingerprints with machine learning for blood-brain barrier (BBB) permeability prediction. Employing the Blood Brain Barrier Database (B3DB) dataset for BBB permeability prediction, we extracted nine differen...
NeuTox 2.0: A hybrid deep learning architecture for screening potential neurotoxicity of chemicals based on multimodal feature fusion.
Environment international
Dec 28, 2024
Chemically induced neurotoxicity is a critical aspect of chemical safety assessment. Traditional and costly experimental methods call for the development of high-throughput virtual screening. However, the small datasets of neurotoxicity have limited ...
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