Literature DB >> 18468890

Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors.

J N Cumming1, T X Le, S Babu, C Carroll, X Chen, L Favreau, P Gaspari, T Guo, D W Hobbs, Y Huang, U Iserloh, M E Kennedy, R Kuvelkar, G Li, J Lowrie, N A McHugh, L Ozgur, J Pan, E M Parker, K Saionz, A W Stamford, C Strickland, D Tadesse, J Voigt, L Wang, Y Wu, L Zhang, Q Zhang.   

Abstract

Guided by structure-based design, we synthesized two novel series of potent inhibitors of BACE1 and generated extensive SAR around both the prime and non-prime side binding pockets. The key feature of both series is a cyclic amine motif specifically crafted to achieve interactions with both the flap and with the S2' pocket.

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Year:  2008        PMID: 18468890     DOI: 10.1016/j.bmcl.2008.04.050

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  6 in total

1.  Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.

Authors:  Arun K Ghosh; Margherita Brindisi; Yu-Chen Yen; Emilio L Cárdenas; Jean-Rene Ella-Menye; Nagaswamy Kumaragurubaran; Xiangping Huang; Jordan Tang; Andrew D Mesecar
Journal:  Bioorg Med Chem Lett       Date:  2017-04-08       Impact factor: 2.823

Review 2.  The structural evolution of β-secretase inhibitors: a focus on the development of small-molecule inhibitors.

Authors:  Stefania Butini; Simone Brogi; Ettore Novellino; Giuseppe Campiani; Arun K Ghosh; Margherita Brindisi; Sandra Gemma
Journal:  Curr Top Med Chem       Date:  2013       Impact factor: 3.295

3.  Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor.

Authors:  Ashish Pandey; Jignesh Mungalpara; C Gopi Mohan
Journal:  Mol Divers       Date:  2009-03-28       Impact factor: 2.943

4.  Hybrid approach to sieve out natural compounds against dual targets in Alzheimer's Disease.

Authors:  Sucharita Das; Sandipan Chakraborty; Soumalee Basu
Journal:  Sci Rep       Date:  2019-03-06       Impact factor: 4.379

5.  Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE).

Authors:  Shu Liu; Rao Fu; Xiao Cheng; Sheng-Ping Chen; Li-Hua Zhou
Journal:  BMC Struct Biol       Date:  2012-08-27

6.  Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway.

Authors:  Serge Zaretsky; Jennifer L Hickey; Joanne Tan; Dmitry Pichugin; Megan A St Denis; Spencer Ler; Benjamin K W Chung; Conor C G Scully; Andrei K Yudin
Journal:  Chem Sci       Date:  2015-07-07       Impact factor: 9.825

  6 in total

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