Gintonin absorption in intestinal model systems
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Ginseng Research"
DOI: 10.1016/j.jgr.2016.12.007
Abstract: Background Recently, we identified a novel ginseng-derived lysophosphatidic acid receptor ligand, called gintonin. We showed that gintonin induces [Ca2+]i transient-mediated morphological changes, proliferation, and migration in cells expressing lysophosphatidic acid receptors and that oral administration… read more here.
Keywords: absorption; model systems; gintonin absorption; gintonin ... See more keywords
Free-Energy Profiles for Membrane Permeation of Compounds Calculated Using Rare-Event Sampling Methods
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c01097
Abstract: The free-energy profile of a compound is an essential measurement in evaluating the membrane permeation process by means of theoretical methods. Computationally, molecular dynamics (MD) simulation allows the free-energy profile calculation. However, MD simulations frequently… read more here.
Keywords: free energy; permeation; membrane permeation; sampling methods ... See more keywords
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
Fine-Tuning and Enhancement of pH-Dependent Membrane Permeation of Cyclic Peptides by Utilizing Noncanonical Amino Acids with Extended Side Chains.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of medicinal chemistry"
DOI: 10.2139/ssrn.4354154
Abstract: The development of cyclic peptides that exhibit pH-sensitive membrane permeation is a promising strategy for tissue-selective drug delivery. We investigated the pH-dependent interactions of designed cyclic peptides bearing noncanonical amino acids of long acidic side… read more here.
Keywords: amino acids; cyclic peptides; side; permeation ... See more keywords