pH-controlled doxorubicin anticancer loading and release from carbon nanotube noncovalently modified by chitosan: MD simulations

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• 作者：Chompoonut Rungnim^a ; Thanyada Rungrotmongkol^b ; ^c ; Rungtiva P. Poo-arporn^d ; ^{rungtiva.pal@kmutt.ac.th}
• 关键词：Carbon nanotube ; Chitosan ; Doxorubicin ; pH control ; pH-sensitive polymer
• 刊名：Journal of Molecular Graphics and Modelling
• 出版年：2016
• 出版时间：November 2016
• 年：2016
• 卷：70
• 期：Complete
• 页码：70-76
• 全文大小：1854 K
• 卷排序：70

文摘

pH-dependent of DOXs anticancer drugs loading & release by acidic condition upon increasing protonated CS units in MD simulations was presented. The drugs well interacted with the CS/SWNT at physiological pH (pH 7.4), where CS was in the deprotonated form. At low pH (pH <6.5), most CS units were protonated, the CS chain was loosen wrapped around the SWNT in both perpendicular and parallel directions.