De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation
摘要:
The use of fragments with low binding affinity for their targets as starting points has received much attention recently. Screening of fragment libraries has been the most common method to find attractive starting points. Herein, we describe a unique, alternative approach to generating fragment leads. A binding model was developed and a set of guidelines were then selected to use this model to design fragments, enabling our discovery of a novel fragment with high LE.
De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation
摘要:
The use of fragments with low binding affinity for their targets as starting points has received much attention recently. Screening of fragment libraries has been the most common method to find attractive starting points. Herein, we describe a unique, alternative approach to generating fragment leads. A binding model was developed and a set of guidelines were then selected to use this model to design fragments, enabling our discovery of a novel fragment with high LE.
MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF
申请人:Albrecht Brian K.
公开号:US20130310379A1
公开(公告)日:2013-11-21
Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein.
本文提供了用于调节甲基修饰酶的代理,以及其组合物和用途。
De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation
作者:Francisco X. Talamas、Gloria Ao-Ieong、Ken A. Brameld、Elbert Chin、Javier de Vicente、James P. Dunn、Manjiri Ghate、Anthony M. Giannetti、Seth F. Harris、Sharada S. Labadie、Vincent Leveque、Jim Li、Alfred S-T. Lui、Kristen L. McCaleb、Isabel Nájera、Ryan C. Schoenfeld、Beihan Wang、April Wong
DOI:10.1021/jm4002605
日期:2013.4.11
The use of fragments with low binding affinity for their targets as starting points has received much attention recently. Screening of fragment libraries has been the most common method to find attractive starting points. Herein, we describe a unique, alternative approach to generating fragment leads. A binding model was developed and a set of guidelines were then selected to use this model to design fragments, enabling our discovery of a novel fragment with high LE.