Systematic evaluation of permeability-related behavior and physicochemical determinants of structurally diverse phytochemicals using a Caco-2 cell model
Abstract
) but negatively with topological polar surface area (TPSA) and hydrogen bonding capacity (HBD, HBA). Principal component analysis (PCA) integrating physicochemical and permeability-related variables explained 63.8% of total variance and illustrated overall multivariate associations among variables. PCA was used as an exploratory visualization tool and suggested that permeability-related parameters were associated with lipophilicity and molecular polarity rather than chemical class alone. These observations provide descriptive insight into structure-permeability relationships but should be interpreted in conjunction with direct permeability measurements.
Fields of Study & Subjects
Barrier Structure and Function Studies
Phytochemicals and Antioxidant Activities
Computational Drug Discovery Methods
Publication details
- Journal / source
- Food & Function
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 6
- Pages
- 2955–2970
- Publication date
- 1 January 2026
- Language
- EN