2024/03/19 by Dahlia R. Weiss, Javier L. Baylon, Ethan D. Evans +4 · 1 voice
Engineering · #Enhanced Oil Recovery Techniques #Drilling and Well Engineering #Microfluidic and Capillary Electrophoresis Applications
paper · doi:10.1021/acsmedchemlett.3c00542
openalex publication_date 2024/03/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/03/27
The optimization of passive permeability is a key objective for orally available small molecule drug candidates. For drugs targeting the central nervous system (CNS), minimizing P-gp-mediated efflux is an additional important target for optimization. The physicochemical properties most strongly associated with high passive permeability and lower P-gp efflux are size, polarity, and lipophilicity. In this study, a new metric called the Balanced Permeability Index (BPI) was developed that combines these three properties. The BPI was found to be more effective than any single property in classifying molecules based on their permeability and efflux across a diverse range of chemicals and assays. BPI is easy to understand, allowing researchers to make decisions about which properties to prioritize during the drug development process.