Literature DB >> 18457381

Second generation of hydroxyethylamine BACE-1 inhibitors: optimizing potency and oral bioavailability.

Nicolas Charrier1, Brian Clarke, Leanne Cutler, Emmanuel Demont, Colin Dingwall, Rachel Dunsdon, Philip East, Julie Hawkins, Colin Howes, Ishrut Hussain, Phil Jeffrey, Graham Maile, Rosalie Matico, Julie Mosley, Alan Naylor, Alistair O'Brien, Sally Redshaw, Paul Rowland, Virginie Soleil, Kathrine J Smith, Sharon Sweitzer, Pam Theobald, David Vesey, Daryl S Walter, Gareth Wayne.   

Abstract

BACE-1 inhibition has the potential to provide a disease-modifying therapy for the treatment of Alzheimer's disease. Optimization of a first generation of BACE-1 inhibitors led to the discovery of novel hydroxyethylamines (HEAs) bearing a tricyclic nonprime side. These derivatives have nanomolar cell potency and are orally bioavailable.

Entities:  

Mesh:

Substances:

Year:  2008        PMID: 18457381     DOI: 10.1021/jm800138h

Source DB:  PubMed          Journal:  J Med Chem        ISSN: 0022-2623            Impact factor:   7.446


  13 in total

1.  Fragment-guided approach to incorporating structural information into a CoMFA study: BACE-1 as an example.

Authors:  Lívia Barros Salum; Napoleão Fonseca Valadares
Journal:  J Comput Aided Mol Des       Date:  2010-07-27       Impact factor: 3.686

2.  Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies.

Authors:  Prabu Manoharan; R S K Vijayan; Nanda Ghoshal
Journal:  J Comput Aided Mol Des       Date:  2010-08-26       Impact factor: 3.686

Review 3.  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

Review 4.  BACE1 (β-secretase) inhibitors for the treatment of Alzheimer's disease.

Authors:  Arun K Ghosh; Heather L Osswald
Journal:  Chem Soc Rev       Date:  2014-10-07       Impact factor: 54.564

5.  Structure-based design of highly selective β-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.

Authors:  Arun K Ghosh; Kalapala Venkateswara Rao; Navnath D Yadav; David D Anderson; Navnath Gavande; Xiangping Huang; Simon Terzyan; Jordan Tang
Journal:  J Med Chem       Date:  2012-09-06       Impact factor: 7.446

6.  Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset.

Authors:  Eddy Elisée; Vytautas Gapsys; Nawel Mele; Ludovic Chaput; Edithe Selwa; Bert L de Groot; Bogdan I Iorga
Journal:  J Comput Aided Mol Des       Date:  2019-11-01       Impact factor: 3.686

7.  Tryptoline-based benzothiazoles re-sensitize MRSA to β-lactam antibiotics.

Authors:  Xinfeng Wang; Jinsen Chen; Wei Wang; Anna Jaunarajs; Xiang Wang
Journal:  Bioorg Med Chem       Date:  2019-09-09       Impact factor: 3.641

8.  Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies.

Authors:  Shalini John; Sundarapandian Thangapandian; Sugunadevi Sakkiah; Keun Woo Lee
Journal:  BMC Bioinformatics       Date:  2011-02-15       Impact factor: 3.169

9.  Sulfur-containing therapeutics in the treatment of Alzheimer's disease.

Authors:  Haizhou Zhu; Venkateshwara Dronamraju; Wei Xie; Swati S More
Journal:  Med Chem Res       Date:  2021-01-15       Impact factor: 1.965

10.  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
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.