Insight Into the Molecular Dynamic Simulation Studies of Reactive Oxygen Species in Native Skin Membrane.

ABSTRACT: In recent years, the role of reactive oxygen species (ROS) in regulating cancer cell apoptosis, inflammation, cell ischemia, and cell signaling pathways has been well established. The most common sources of intracellular ROS are the mitochondrial electron transport system, NADH oxidase, and cytochrome P450. In this study, we investigated the dynamics and permeability of ROS using molecular dynamics (MD) simulations on native skin-lipid bilayer membranes. Native skin-lipid bilayers are composed of ceramide, cholesterol, and free fatty acid in an almost equal molar ratio (1:1:1). Dynamic distribution studies on ROS, i.e., hydrogen peroxide (H₂O₂) and O₂ (¹O₂ by analogy), revealed that these species interact with cholesterol as a primary

SUBMITTER: Yadav DK 

PROVIDER: S-EPMC6030362 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature