Topical drug delivery: History, percutaneous absorption, and product development

MS Roberts, HS Cheruvu, SE Mangion… - Advanced drug delivery …, 2021 - Elsevier
Topical products, widely used to manage skin conditions, have evolved from simple potions
to sophisticated delivery systems. Their development has been facilitated by advances in …

Using molecular simulation to understand the skin barrier

P Shamaprasad, CO Frame, TC Moore, A Yang… - Progress in lipid …, 2022 - Elsevier
Skin's effectiveness as a barrier to permeation of water and other chemicals rests almost
entirely in the outermost layer of the epidermis, the stratum corneum (SC), which consists of …

[HTML][HTML] Lipid interaction sites on channels, transporters and receptors: recent insights from molecular dynamics simulations

G Hedger, MSP Sansom - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
Lipid molecules are able to selectively interact with specific sites on integral membrane
proteins, and modulate their structure and function. Identification and characterization of …

[HTML][HTML] Force field development for lipid membrane simulations

AP Lyubartsev, AL Rabinovich - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
With the rapid development of computer power and wide availability of modelling software
computer simulations of realistic models of lipid membranes, including their interactions with …

Molecular dynamics simulation of small molecules interacting with biological membranes

C Martinotti, L Ruiz‐Perez, E Deplazes… - …, 2020 - Wiley Online Library
Cell membranes protect and compartmentalise cells and their organelles. The semi‐
permeable nature of these membranes controls the exchange of solutes across their …

The permeability enhancing mechanism of menthol on skin lipids: a molecular dynamics simulation study

H Wang, F Meng - Journal of molecular modeling, 2017 - Springer
The stratum corneum (SC), the outermost layer of skin, represents the primary barrier to
molecules penetrating the skin. Menthol is widely used in clinical medicine as a penetration …

Molecular dynamics simulations of ceramide and ceramide-phosphatidylcholine bilayers

E Wang, JB Klauda - The Journal of Physical Chemistry B, 2017 - ACS Publications
Recent studies in lipid raft formation and stratum corneum permeability have focused on the
role of ceramides (CER). In this study, we use the all-atom CHARMM36 (C36) force field to …

Water orientation at ceramide/water interfaces studied by heterodyne-detected vibrational sum frequency generation spectroscopy and molecular dynamics simulation

A Adhikari, S Re, W Nishima, M Ahmed… - The Journal of …, 2016 - ACS Publications
Lipid/water interaction is essential for many biological processes. The water structure at the
nonionic lipid interface remains little known, and there is no scope of a priori prediction of …

Molecular simulations of self-assembled ceramide bilayers: comparison of structural and barrier properties

SN Karozis, EI Mavroudakis… - Molecular …, 2020 - Taylor & Francis
Structural and transport properties of lipid bilayers consisting of pure ceramides are
investigated through molecular dynamics simulations. Two different initial configurations are …

[PDF][PDF] COMBINED MOLECULAR DYNAMICS AND THERMODYNAMICS MODELLING OF SKIN LIPID BILAYER STRUCTURE AND BARRIER PROPERTY–EFFECT …

N Piasentin - 2023 - openresearch.surrey.ac.uk
Stratum corneum (SC), the outermost layer of skin, is the main rate limiting step in
percutaneous absorption and the inter-corneocyte lipid matrix is the dominant pathway for …