论文 - 实验室网站

#1 2019

Design, synthesis and evaluation of diosgenin carbamate derivatives as multitarget anti-Alzheimer's disease agents

作者: Guixiang Yang, Yan Huang, Lulu Zheng, Li Zhang, Lin Su, Yuhang Wu, Jie Li, Licheng Zhou, Jin Huang, Yun Tang*, Rui Wang*, Lei Ma*

期刊: Eur. J. Med. Chem.

信息: 2019 | Vol.187 | 111913

#2 2019

Insights into the interaction mechanisms of estrogen-related receptor alpha (ERRα) with ligands via molecular dynamics simulations

作者: Dongping Li, Yingchun Cai, Dan Teng, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*

期刊: J. Biomol. Struct. Dyn.

信息: 2019 | 38(13) | 3867-3878

#3 2019

Prediction of the allergic mechanism of haptens via a reaction-substructure-compound-target-pathway network system

作者: Peiwen Di, Zengrui Wu, Hongbin Yang, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Toxicol. Lett.

信息: 2019 | Vol.317 | 68-81

#4 2019

Design, synthesis and biological evaluation of chalcones as reversers of P-glycoprotein-mediated multidrug resistance

作者: Huanhuan Yin, Jingjing Dong, Yingchun Cai, Ximeng Shi, Hao Wang, Guixia Liu, Yun Tang*, Jianwen Liu*, Lei Ma*

期刊: Eur. J. Med. Chem.

信息: 2019 | Vol.180 | 350-366

#5 2019

A novel derivative of artemisinin inhibits cell proliferation and metastasis via down-regulation of cathepsin K in breast cancer

作者: Xiangyu Gu, Yayuan Peng, Yuyu Zhao, Xin Liang*, Yun Tang*, Jianwen Liu*

期刊: Eur. J. Pharmacol.

信息: 2019 | Vol.858 | 172382

#6 2019

Insights into mechanisms and severity of drug-induced liver injury via computational systems toxicology approach

作者: Yayuan Peng, Zengrui Wu*, Hongbin Yang, Yingchun Cai, Guixia Liu, Weihua Li, Yun Tang*

期刊: Toxicol. Lett.

信息: 2019 | Vol.312 | 22-33

#7 2019

Prediction of the skin sensitising potential and potency of compounds via mechanism-based binary and ternary classification models

作者: Peiwen Di, Yongmin Yin, Changsheng Jiang, Yingchun Cai, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Toxicol. In Vitro

信息: 2019 | Vol.59 | 204-214

#8 2019

Insights into the antineoplastic mechanism of Chelidonium majus via systems pharmacology approach

作者: Xinzhe Xiao, Zehui Chen, Zengrui Wu, Tianduanyi Wang, Weihua Li, Guixia Liu, Bo Zhang*, Yun Tang*

期刊: Quant. Biol.

信息: 2019 | 7(1) | 42-53

#9 2019

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models

作者: Lixia Sun, Hongbin Yang, Yingchun Cai, Weihua Li, Guixia Liu, Yun Tang*

期刊: J. Chem. Inf. Model.

信息: 2019 | 59(3) | 973-982

#10 2019

Computational insights into the interaction mechanisms of estrogen-related receptor alpha with endogenous ligand cholesterol

作者: Dongping Li, Yingchun Cai, Dan Teng, Weihua Li, Yun Tang*, Guixia Liu*

期刊: Chem. Biol. Drug Des.

信息: 2019 | 94(1) | 1316-1329

#11 2019

In silico prediction of chemical reproductive toxicity using machine learning

作者: Changsheng Jiang, Hongbin Yang, Peiwen Di, Weihua Li, Yun Tang*, Guixia Liu*

期刊: J. Appl. Toxicol.

信息: 2019 | 39(6) | 844-854

#12 2019

Computational insights into the different catalytic activities of CYP3A4 and CYP3A5 toward schisantherin E

作者: Yuhan Xue, Junhao Li, Zengrui Wu, Guixia Liu, Yun Tang, Weihua Li*

期刊: Chem. Biol. Drug Des.

信息: 2019 | 93(5) | 854–864

#13 2019

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

作者: Yingchun Cai, Hongbin Yang, Weihua Li, Guixia Liu, Philip W Lee, Yun Tang*