Predicting Blood-Brain Barrier Permeation of Erlotinib and JCN037 by Molecular Simulation.

Liang, Yanshu; Zhi, Shuang; Qiao, Zhixia; Meng, Fancui

Liang, Yanshu; Zhi, Shuang; Qiao, Zhixia; Meng, Fancui.

Afiliação

Liang Y; School of Mechanical Engineering, Tianjin University of Commerce, Tianjin, 300134, People's Republic of China. lyshu_tjcu@163.com.
Zhi S; Tianjin Institute of Medical and Pharmaceutical Sciences, Tianjin, 300020, People's Republic of China.
Qiao Z; School of Mechanical Engineering, Tianjin University of Commerce, Tianjin, 300134, People's Republic of China.
Meng F; State Key Laboratory of Drug Delivery Technology and Pharmacokinetics, Tianjin Institute of Pharmaceutical Research, Tianjin, 300301, People's Republic of China.

J Membr Biol ; 256(2): 147-157, 2023 04.

Article em En | MEDLINE | ID: mdl-36441253

Assuntos

Barreira Hematoencefálica; Glioblastoma; Humanos; Cloridrato de Erlotinib/farmacologia; Receptores ErbB; Água; Lipídeos

Palavras-chave

Erlotinib; JCN037; Molecular dynamics; Potential of mean force; bloodbrain barrier

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Barreira Hematoencefálica / Glioblastoma Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Humans Idioma: En Revista: J Membr Biol Ano de publicação: 2023 Tipo de documento: Article

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