Bioorganic and Medicinal Chemistry p. 2567 - 2575 (2016)
Update date:2022-08-11
Topics:
Jain, Priti
Wadhwa, Pankaj K.
Gunapati, Sinduri
Jadhav, Hemant R.
The identification of a series of sulfonyl-amino-acetamides as BACE-1 (β-secretase) inhibitors for the treatment of Alzheimer's disease is reported. The derivatives were designed based on the docking simulation study, synthesized and assessed for BACE-1 inhibition in vitro. The designed ligands revealed desired binding interactions with the catalytic aspartate dyad and occupance of S1 and S2′ active site regions. These in silico results correlated well with in vitro activity. Out of 33 compounds synthesized, 12 compounds showed significant inhibition at 10 μM concentration. The most active compound 2.17S had IC50 of 7.90 μM against BACE-1, which was concomitant with results of in silico docking study.
View MoreContact:0572-2722882
Address:1201,F3,xinghuibandao,
Xi'an caijing Opto-Electrical Science & Technology Co., LTD
Contact:+86-29-88294447
Address:NO.168 Zhangba Rd. East, Xi'an, P.R.China
HANGZHOU TOYOND BIOTECH CO., LTD
Contact:+86-571-86965177
Address:No. 189, Fengqi East Road, Hangzhou, China
Contact:86-511-85210668 0511-85210668, 85210818, 85210898
Address:Yihai Garden E-902,NO.99 Daxi RD., Zhenjiang Jiiangsu ,China
Chuzhou Baiao Biologhy S&T Co., Ltd.
Contact:+86-25-83212599;+86-25-83212699 13705185959
Address:Room 905, Tianzheng International Platza, No.399, Zhongyang Road ,Nanjing, Jiangsu Province, China
Doi:10.1039/c3cy00884c
(2014)Doi:10.1021/ac051646i
(2006)Doi:10.1021/ic50041a039
(1966)Doi:10.1021/acs.orglett.7b03829
(2018)Doi:10.1002/cssc.201501181
(2016)Doi:10.3390/molecules200713240
(2015)