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Your search keyword '"Rupeng Dai"' showing total 2 results
Start Over Author "Rupeng Dai" Topic therapeutics. pharmacology
2 results on '"Rupeng Dai"'

1. Design, synthesis and biological evaluation of novel 1H-1,2,4-triazole, benzothiazole and indazole-based derivatives as potent FGFR1 inhibitors viafragment-based virtual screening

Author

Jian Liu, Yu Wen, Lina Gao, Liang Gao, Fengjun He, Jingxian Zhou, Junwei Wang, Rupeng Dai, Xiaojing Chen, Di Kang, and Lihong Hu

Subjects
anticancer, fgfr1, fgfr1 inhibitor, fragment-based virtual screening, Therapeutics. Pharmacology, RM1-950
Abstract

Fibroblast growth-factor receptor (FGFR) is a potential target for cancer therapy. We designed three novel series of FGFR1 inhibitors bearing indazole, benzothiazole, and 1H-1,2,4-triazole scaffold via fragment-based virtual screening. All the newly synthesised compounds were evaluated in vitro for their inhibitory activities against FGFR1. Compound 9d bearing an indazole scaffold was first identified as a hit compound, with excellent kinase inhibitory activity (IC50 = 15.0 nM) and modest anti-proliferative activity (IC50 = 785.8 nM). Through two rounds of optimisation, the indazole derivative 9 u stood out as the most potent FGFR1 inhibitors with the best enzyme inhibitory activity (IC50 = 3.3 nM) and cellular activity (IC50 = 468.2 nM). Moreover, 9 u also exhibited good kinase selectivity. In addition, molecular docking study was performed to investigate the binding mode between target compounds and FGFR1.

Published
2020
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2. Design, synthesis and biological evaluation of novel 1H-1,2,4-triazole, benzothiazole and indazole-based derivatives as potent FGFR1 inhibitors viafragment-based virtual screening

Author

Yu Wen, Lihong Hu, Rupeng Dai, Junwei Wang, Liang Gao, Fengjun He, Di Kang, Lina Gao, Jian Liu, Jingxian Zhou, and Xiaojing Chen

Subjects
Pharmacology, fgfr1, Indazole, Virtual screening, 010405 organic chemistry, Kinase, 1,2,4-Triazole, General Medicine, RM1-950, anticancer, 01 natural sciences, Combinatorial chemistry, In vitro, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, chemistry.chemical_compound, chemistry, Benzothiazole, Fibroblast growth factor receptor, Drug Discovery, Therapeutics. Pharmacology, IC50, fgfr1 inhibitor, fragment-based virtual screening
Abstract

Fibroblast growth-factor receptor (FGFR) is a potential target for cancer therapy. We designed three novel series of FGFR1 inhibitors bearing indazole, benzothiazole, and 1H-1,2,4-triazole scaffold via fragment-based virtual screening. All the newly synthesised compounds were evaluated in vitro for their inhibitory activities against FGFR1. Compound 9d bearing an indazole scaffold was first identified as a hit compound, with excellent kinase inhibitory activity (IC50 = 15.0 nM) and modest anti-proliferative activity (IC50 = 785.8 nM). Through two rounds of optimisation, the indazole derivative 9 u stood out as the most potent FGFR1 inhibitors with the best enzyme inhibitory activity (IC50 = 3.3 nM) and cellular activity (IC50 = 468.2 nM). Moreover, 9 u also exhibited good kinase selectivity. In addition, molecular docking study was performed to investigate the binding mode between target compounds and FGFR1.

Published
2020

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