Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00648
Abstract: Lipid membrane permeation of drug molecules was investigated with Heterogeneous Dielectric Generalized Born (HDGB)-based models using solubility-diffusion theory and machine learning. Free energy profiles were obtained for neutral molecules by the standard HDGB and Dynamic… read more here.
Keywords: machine learning; permeation drug; drug molecules; membrane ... See more keywords
Enhancing Permeation of Drug Molecules Across the Skin via Delivery in Nanocarriers: Novel Strategies for Effective Transdermal Applications
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Bioengineering and Biotechnology"
DOI: 10.3389/fbioe.2021.646554
Abstract: The transdermal route of administration provides numerous advantages over conventional routes i.e., oral or injectable for the treatment of different diseases and cosmetics applications. The skin also works as a reservoir, thus deliver the penetrated… read more here.
Keywords: permeation drug; enhancing permeation; delivery; skin ... See more keywords