A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility

por Tang, Bowen, Kramer, Skyler T., Fang, Meijuan, Qiu, Yingkun, Wu, Zhen, Xu, Dong
Publicado 2020

Lipidome remodeling activities of DPA-EA in palmitic acid-stimulated HepG2 cells and the in vivo anti-obesity effect of the DPA-EA and DHA-EA mixture prepared from algae oil

por Fang, Hua, Cao, Yin, Zhang, Jianyu, Wang, Xiumei, Li, Mengyu, Hong, Zhuan, Wu, Zhen, Fang, Meijuan
Publicado 2023

Identification and characterization of 7-azaindole derivatives as inhibitors of the SARS-CoV-2 spike-hACE2 protein interaction

por Wang, Chaojie, He, Fengming, Sun, Ke, Guo, Kaiqiang, Lu, Sheng, Wu, Tong, Gao, Xiang, Fang, Meijuan
Publicado 2023

Inhibition of Nur77 expression and translocation by compound B6 reduces ER stress and alleviates cigarette smoke-induced inflammation and injury in bronchial epithelial cells

por Chang, Chenli, He, Fengming, Ao, Mingtao, Chen, Jun, Yu, Tao, Li, Weiyu, Li, Baicun, Fang, Meijuan, Yang, Ting
Publicado 2023

Insights into the stereoselectivity of human SETD7 methyltransferase

por Tang, Bowen, Li, Baicun, Li, Boqun, Qin, Jingbo, Zhao, Junming, Xu, Jianwenn, Qiu, Yingkun, Wu, Zhen, Fang, Meijuan
Publicado 2019

AI-Aided Design of Novel Targeted Covalent Inhibitors against SARS-CoV-2

por Tang, Bowen, He, Fengming, Liu, Dongpeng, He, Fei, Wu, Tong, Fang, Meijuan, Niu, Zhangming, Wu, Zhen, Xu, Dong
Publicado 2022

Approved Small-Molecule ATP-Competitive Kinases Drugs Containing Indole/Azaindole/Oxindole Scaffolds: R&D and Binding Patterns Profiling

por Zhang, Haofan, He, Fengming, Gao, Guiping, Lu, Sheng, Wei, Qiaochu, Hu, Hongyu, Wu, Zhen, Fang, Meijuan, Wang, Xiumin
Publicado 2023

Design, synthesis, and biological evaluation of 5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)-1H-Indole-2-Carbohydrazide derivatives: the methuosis inducer 12A as a Novel and selective...

por Wu, Jun, Hu, Hongyu, Ao, Mingtao, Cui, Zhenzhen, Zhou, Xiaoping, Qin, Jingbo, Guo, Yafei, Chen, Jingwei, Xue, Yuhua, Fang, Meijuan
Publicado 2021

Design, synthesis, and biological evaluation of AV6 derivatives as novel dual reactivators of latent HIV-1

por Ao, Mingtao, Pan, Zhenrui, Qian, Yuqing, Tang, Bowen, Feng, Zeming, Fang, Hua, Wu, Zhen, Chen, Jingwei, Xue, Yuhua, Fang, Meijuan
Publicado 2018

Synthesis and biological evaluation of (3/4-(pyrimidin-2-ylamino)benzoyl)-based hydrazine-1-carboxamide/carbothioamide derivatives as novel RXRα antagonists

por Qin, Jingbo, Liu, Jie, Wu, Chunxiao, Xu, Jianwen, Tang, Bowen, Guo, Kaiqiang, Chen, Xiaohui, Liu, Weihao, Wu, Tong, Zhou, Hu, Fang, Meijuan, Wu, Zhen
Publicado 2020

Design, synthesis, and evaluation of novel benzoylhydrazone derivatives as Nur77 modulators with potent antitumor activity against hepatocellular carcinoma

por He, Fengming, Chen, Jun, Zhao, Taige, Wu, Qiaoqiong, Yin, Na, Wang, Xiumei, Zhong, Yijing, Guo, Xiaodan, Qiu, YingKun, Li, Baicun, Fang, Meijuan, Wu, Zhen
Publicado 2023