Machine Learning Exploration of the Relationship Between Drugs and the Blood-Brain Barrier: Guiding Molecular Modification.

Journal: Pharmaceutical research
PMID:

Abstract

OBJECTIVE: This study aimed to improve the efficiency of pharmacotherapy for CNS diseases by optimizing the ability of drug molecules to penetrate the Blood-Brain Barrier (BBB).

Authors

  • Qi Yang
    Department of Radiology, The First Hospital of Jilin University, No.1, Xinmin Street, Changchun 130021, China (Y.W., M.L., Z.M., J.W., K.H., Q.Y., L.Z., L.M., H.Z.).
  • Lili Fan
    Guangzhou Key Laboratory of Formula-Pattern of Traditional Chinese Medicine, School of Traditional Chinese Medicine, Jinan University, Guangzhou, Guangdong, China. fanlili@jnu.edu.cn.
  • Erwei Hao
    Guangxi Key Laboratory of Efficacy Study On Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning, 530200, China. ewhao@163.com.
  • Xiaotao Hou
    Guangxi Key Laboratory of Efficacy Study On Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning, 530200, China.
  • Jiagang Deng
    Guangxi Key Laboratory of Efficacy Study On Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning, 530200, China.
  • Zhongshang Xia
    Guangxi Key Laboratory of Efficacy Study On Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning, 530200, China. xiazshang@163.com.
  • Zhengcai Du
    Guangxi Key Laboratory of Efficacy Study On Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning, 530200, China.