Intestinal motility, including peristalsis and segmentation, drives complex fluid movements critical for the oral delivery of biologics and other macromolecules. Despite advances, oral delivery remains commercially limited by low bioavailability, oft...
Macrocyclic drugs offer powerful opportunities for modulating protein-protein interactions, yet their development is limited by poor and unpredictable membrane permeability. Experimental testing is slow, and 3D modeling of macrocycles is computationa...
Journal of chemical information and modeling
Nov 13, 2025
Heterobifunctional degraders, a class of targeted protein degraders (TPDs), often occupy beyond-rule-of-five (bRo5) chemical space, where traditional passive permeability models─calibrated on drug-like molecules or peptides and based on topological d...
Neurological disorders continue to be a leading global health challenge, with the blood-brain barrier (BBB) presenting considerable obstacles to effective drug delivery for central nervous system (CNS) therapies. Accurately predicting BBB permeabilit...
The development of carbonate reservoirs is confronted with significant challenges, including pronounced heterogeneity and suboptimal porosity-permeability characteristics. These challenges are particularly acute in low-porosity, low-permeability comp...
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...
Trillions of intestinal microbiota are essential to the permeability of orally administered drugs. However, identifying microbial-drug interactions remains challenging due to the highly variable composition of intestinal flora among individuals. Usin...
SAR and QSAR in environmental research
Apr 7, 2025
Drug discovery's success lies in potent inhibition against a target and optimum pharmacokinetic and toxicokinetic properties of drug molecules. Membrane permeability is a crucial factor in determining the absorption, distribution, metabolism, and exc...
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...
Developing effective antibiotics against Gram-negative bacteria remains challenging due to their protective outer membrane. With this study, we investigated the relationship between antibiotic permeation through the OmpF porin of and antimicrobial e...
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