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RSC Advances

An international journal to further the chemical sciences

Paper

Study of novel pyrazolo[3,4-d]pyrimidine derivatives as selective TgCDPK1 inhibitors: molecular docking, structure-based 3D-QSAR and molecular dynamics simulation

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Corresponding authors
a
Department of Physical Chemistry, College of Pharmacy, Guangdong Pharmaceutical University, Guangzhou 510006, PR China
E-mail: wuwenjuan83@126.com
Tel: +86 2039352119
b
Department of Pharmacy, Kangda College of Nanjing Medical University, Lianyungang 222000, PR China
c
School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275, PR China
RSC Adv., 2016,6, 100772-100782

DOI: 10.1039/C6RA20277B
Received 11 Aug 2016, Accepted 11 Oct 2016
First published online 11 Oct 2016
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Supplementary Info