AIMC Topic: Blood-Brain Barrier
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A novel in silico approach for predicting unbound brain-to-plasma ratio using machine learning-based support vector regression.
Computers in biology and medicine
Jun 1, 2025
The blood-brain barrier (BBB) functions as a vital protective mechanism, restricting the entry of substances and xenobiotics into the central nervous system (CNS). Consequently, BBB penetration is a critical aspect of absorption, distribution, metabo...
Predicting the Brain-To-Plasma Unbound Partition Coefficient of Compounds via Formula-Guided Network.
Journal of chemical information and modeling
May 26, 2025
Blood-brain barrier (BBB) permeability plays a crucial role in determining drug efficacy in the brain, with the brain-to-plasma unbound partition coefficient () recognized as a key parameter of BBB permeability in drug development. However, data are...
Lipid nanoparticle (LNP) mediated mRNA delivery in neurodegenerative diseases.
Journal of controlled release : official journal of the Controlled Release Society
May 10, 2025
Neurodegenerative diseases (NDD) are characterized by the progressive loss of neurons and the impairment of cellular functions. Messenger RNA (mRNA) has emerged as a promising therapy for treating NDD, as it can encode missing or dysfunctional protei...
Blood-brain barrier crossing biopolymer targeting c-Myc and anti-PD-1 activate primary brain lymphoma immunity: Artificial intelligence analysis.
Journal of controlled release : official journal of the Controlled Release Society
May 10, 2025
Primary Central Nervous System Lymphoma is an aggressive central nervous system neoplasm with poor response to pharmacological treatment, partially due to insufficient drug delivery across blood-brain barrier. In this study, we developed a novel ther...
Unsupervised Deep Learning for Blood-Brain Barrier Leakage Detection in Diffuse Glioma Using Dynamic Contrast-enhanced MRI.
Radiology. Artificial intelligence
May 1, 2025
Purpose To develop an unsupervised deep learning framework for generalizable blood-brain barrier leakage detection using dynamic contrast-enhanced MRI, without requiring pharmacokinetic models and arterial input function estimation. Materials and Met...
Machine Learning in Drug Development for Neurological Diseases: A Review of Blood Brain Barrier Permeability Prediction Models.
Molecular informatics
Mar 1, 2025
The blood brain barrier (BBB) is an endothelial-derived structure which restricts the movement of certain molecules between the general somatic circulatory system to the central nervous system (CNS). While the BBB maintains homeostasis by regulating ...
ESM-BBB-Pred: a fine-tuned ESM 2.0 and deep neural networks for the identification of blood-brain barrier peptides.
Briefings in bioinformatics
Nov 22, 2024
Blood-brain barrier peptides (BBBP) could significantly improve the delivery of drugs to the brain, paving the way for new treatments for central nervous system (CNS) disorders. The primary challenge in treating CNS disorders lies in the difficulty p...
Application of Deep Learning for Studying NMDA Receptors.
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2024
Artificial intelligence underwent remarkable advancement in the past decade, revolutionizing our way of thinking and unlocking unprecedented opportunities across various fields, including drug development. The emergence of large pretrained models, su...
Review on the Artificial Intelligence-based Nanorobotics Targeted Drug Delivery System for Brain-specific Targeting.
Current pharmaceutical design
Jan 1, 2023
Contemporary medical research increasingly focuses on the blood-brain barrier (BBB) to maintain homeostasis in healthy individuals and provide solutions for neurological disorders, including brain cancer. Specialized in vitro modules replicate the BB...
A merged molecular representation deep learning method for blood-brain barrier permeability prediction.
Briefings in bioinformatics
Sep 20, 2022
The ability of a compound to permeate across the blood-brain barrier (BBB) is a significant factor for central nervous system drug development. Thus, for speeding up the drug discovery process, it is crucial to perform high-throughput screenings to p...
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