Publications in International Journals / Series (Article (International))

Assessment of penetration of Ascorbyl Tetraisopalmitate into biological membranes by molecular dynamics

  • Computers in Biology and Medicine, 75, 151-159, 2016

Publisher: Elsevier

Abstract

The present work, involves the simulation of the transport of a vitamin C derivative, Ascorbyl Tetraisopalmitate (ATI), through human skin by molecular dynamics. Percutaneous absorption of the ATI molecule through the infundibulum, an important route of absorption into the hair follicle of the human skin, has been modeled and compared with the stratum corneum membrane. The comparative study was done, using molecular dynamics with Martini force field. In infundibulum, a single ATI molecule require more time to penetrate, and the data obtained suggested that a high concentration of ATI molecule ...

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