Results 211 to 220 of about 92,560 (238)

Ligand efficiency and fragment-based drug discovery

Drug Discovery Today, 2009
The use of fragment-based drug discovery (FBDD) has increased in recent years since it is more likely to produce a better optimized compound of lower molecular weight. Ligand efficiency (LE) has become important for assessing fragments, HTS hits, and resulting optimized ligands.
Scott D, Bembenek, Brett A, Tounge, Charles H, Reynolds   +2 more
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Advances in fragment-based drug discovery platforms

Expert Opinion on Drug Discovery, 2009
Fragment-based drug discovery (FBDD) has been established as a powerful alternative and complement to traditional high-throughput screening techniques for identifying drug leads. At present, this technique is widely used among academic groups as well as small biotech and large pharmaceutical companies. In recent years, > 10 new compounds developed with
Masaya, Orita, Masaichi, Warizaya, Yasushi, Amano, Kazuki, Ohno, Tatsuya, Niimi   +4 more
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Introduction to Fragment-Based Drug Discovery

2011
Fragment-based drug discovery (FBDD) has emerged in the past decade as a powerful tool for discovering drug leads. The approach first identifies starting points: very small molecules (fragments) that are about half the size of typical drugs. These fragments are then expanded or linked together to generate drug leads.
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Subpocket Analysis Method for Fragment-Based Drug Discovery

Journal of Chemical Information and Modeling, 2013
Although two binding sites might be dissimilar overall, they might still bind the same fragments if they share suitable subpockets. Information about shared subpockets can be therefore used in fragment-based drug design to suggest new fragments or to replace existing fragments within an already known compound. A novel computational method called SubCav
Tuomo Kalliokoski, Tjelvar S. G. Olsson, Anna Vulpetti   +2 more
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Scoring Functions for Fragment-Based Drug Discovery

2015
Fragment-based drug design represents a challenge for computational drug design because almost inevitably fragments will be weak binders to the biomolecular targets of a specific disease, and the performances of the scoring functions for weak binders are usually poorer than those for the stronger binders.
Jui-Chih, Wang, Jung-Hsin, Lin
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Fragment-Based Drug Discovery and Molecular Docking in Drug Design

Current Pharmaceutical Biotechnology, 2015
Fragment-based drug discovery (FBDD) has caused a revolution in the process of drug discovery and design, with many FBDD leads being developed into clinical trials or approved in the past few years. Compared with traditional high-throughput screening, it displays obvious advantages such as efficiently covering chemical space, achieving higher hit rates,
Tao, Wang, Mian-Bin, Wu, Zheng-Jie, Chen, Hua, Chen, Jian-Ping, Lin, Li-Rong, Yang   +5 more
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Fragment Based Drug Discovery using rational design

The FASEB Journal, 2007
Fragment‐based discovery has recently emerged as a new approach for the generation of novel small molecule therapeutic agents. The use of high throughput X‐ray crystallography, as well as NMR, in fragment‐based discovery approaches will be exemplified in this talk.
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Targeting Cancer Using Fragment Based Drug Discovery

Anti-Cancer Agents in Medicinal Chemistry, 2012
Over the past decade, fragment-based drug discovery has developed significantly and has gained increasing popularity in the pharmaceutical industry as a powerful alternative and complement to traditional high-throughput screening approaches for hit identification.
Andrew P, Turnbull, Susan M, Boyd
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Structure‐Based and Fragment‐Based GPCR Drug Discovery

ChemMedChem, 2013
AbstractG protein‐coupled receptors (GPCRs) are an important family of membrane proteins; historically, drug discovery in this target class has been fruitful, with many of the world’s top‐selling drugs being GPCR modulators. Until recently, the modern techniques of structure‐ and fragment‐based drug discovery had not been fully applied to GPCRs ...
Stephen P, Andrews, Giles A, Brown, John A, Christopher   +2 more
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[Progress in the fragment-based drug discovery].

Yao xue xue bao = Acta pharmaceutica Sinica, 2014
As an extension of the structure-based drug discovery, fragment-based drug discovery is matured increasingly, and plays an important role in drug development. Fragments in a small library, with lower molecular mass and high "ligand efficiency", are detected by SPR, MS, NMR, X-ray crystallography technologies and other biophysical methods. Then they are
Jing, Ren, Jian, Li, Feng, Shi, Xin, Wang, Jian-Hua, He, Ye-Chun, Xu, Nai-Xia, Zhang, Bing, Xiong, Jing-Kang, Shen   +8 more
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