An in Silico Approach to Reveal the Nanodisc Formulation of Doxorubicin

An in Silico Approach to Reveal the Nanodisc Formulation of Doxorubicin

Molecular dynamic behaviors of nanodisc (ND) formulations of free doxorubicin (DOX) and DOX conjugated lipid prodrug molecules were investigated by molecular dynamics (MD) simulations. We have unveiled how formulation design affects the drug release profile and conformational stability of ND assembl...

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Bibliographic Details
Main Authors: Daiyun Xu, Xu Chen, Zhidong Chen, Yonghui Lv, Yongxiao Li, Shengbin Li, Wanting Xu, Yuan Mo, Xinpei Wang, Zirui Chen, Tingyi Chen, Tianqi Wang, Zhe Wang, Meiying Wu, Junqing Wang
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-02-01
Series:Frontiers in Bioengineering and Biotechnology
Subjects:
molecular dynamics
Doxorubicin
nanodiscs
prodrugs
Drug delivery
lipidation
Online Access:https://www.frontiersin.org/articles/10.3389/fbioe.2022.859255/full

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