Results 31 to 40 of about 92,560 (238)

Exploring protein hotspots by optimized fragment pharmacophores

Nature Communications, 2021
Fragment-based drug discovery employs screening of small polar compounds typically exhibiting low affinity towards protein targets. Here, the authors combine the use of protein-based binding pharmacophores with the theory of protein hotspots to develop a
Dávid Bajusz, Warren S. Wade, Grzegorz Satała, Andrzej J. Bojarski, Janez Ilaš, Jessica Ebner, Florian Grebien, Henrietta Papp, Ferenc Jakab, Alice Douangamath, Daren Fearon, Frank von Delft, Marion Schuller, Ivan Ahel, Amanda Wakefield, Sándor Vajda, János Gerencsér, Péter Pallai, György M. Keserű   +18 more
doaj   +1 more source

Recent Applications of Diversity-Oriented Synthesis Toward Novel, 3-Dimensional Fragment Collections

Frontiers in Chemistry, 2018
Fragment-based drug discovery (FBDD) is a well-established approach for the discovery of novel medicines, illustrated by the approval of two FBBD-derived drugs.
Sarah L. Kidd, Thomas J. Osberger, Natalia Mateu, Hannah F. Sore, David R. Spring   +4 more
doaj   +1 more source

Discovery of a fragment hit compound targeting D-Ala:D-Ala ligase of bacterial peptidoglycan biosynthesis

Journal of Enzyme Inhibition and Medicinal Chemistry, 2023
Bacterial resistance is an increasing threat to healthcare systems, highlighting the need for discovering new antibacterial agents. An established technique, fragment-based drug discovery, was used to target a bacterial enzyme Ddl involved in the ...
Matic Proj, Martina Hrast, Gregor Bajc, Rok Frlan, Anže Meden, Matej Butala, Stanislav Gobec   +6 more
doaj   +1 more source

Career development in fragment-based drug discovery

Drug Discovery Today: Technologies, 2020
The pharmaceutical industry is highly reliant on researchers who not only possess the technical knowledge but also the professional skills to collaborate in drug development. To prepare future practitioners to thrive in this interdisciplinary environment, Innovative Training Networks (ITNs) have become increasingly important in doctoral training.
A.K.S. Romasanta, P.C. van der Sijde, M.J. Smit, I.J.P. de Esch, W. Jahnke, J.E. van Muijlwijk-Koezen   +5 more
openaire   +3 more sources

Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening

IUCrJ
Heat-shock protein 90 (HSP90) is a highly active molecular chaperone that plays a crucial role in cellular function. It facilitates the folding, assembly and stability of various oncogenic proteins, particularly kinases and transcription factors involved
Liqing Huang, Weiwei Wang, Zhimin Zhu, Qianhui Li, Minjun Li, Huan Zhou, Qin Xu, Wen Wen, Qisheng Wang, Feng Yu   +9 more
doaj   +1 more source

Fragment-Based Drug Discovery [PDF]

Australian Journal of Chemistry, 2013
Fragment-based drug discovery (FBDD), while still a relatively new approach, has been so successful for identifying ligands for proteintargetsthatitisalreadywidelyregardedasrepresentinga sea-change in drug discovery techniques. The strategy involves identifying small (typically ,300Da), low-affinity ligands (‘fragments’) and combining or expanding ...
openaire   +1 more source

Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy

Magnetic Resonance Letters, 2022
Considerable developments have been observed in fragment-based lead/drug discovery (FBLD/FBDD) recently, with four drugs approved and many others under investigation.
Lei Wang, Jia Gao, Rongsheng Ma, Yaqian Liu, Mingqing Liu, Fumei Zhong, Jie Hu, Shuju Li, Jihui Wu, Hualiang Jiang, Jiahai Zhang, Ke Ruan   +11 more
doaj   +1 more source

Epigenetic blind spots – the role of DNA methylation dynamics in stem cell‐based models of embryogenesis

FEBS Letters, EarlyView.
Embryo‐like structures (stembryos) are an innovative tool, but they are hindered by experimental variability and limited developmental potential. DNA methylation is crucial for mammalian development, but its status in stembryo models is poorly characterized.
Sara Canil, Anna Corrà, Annalisa Scapolatiello, Chengxiang Qiu, Gianluca Amadei   +4 more
wiley   +1 more source

Septin 9 PB domains coordinate centrosome positioning and microtubule acetylation to control epithelial polarity

FEBS Letters, EarlyView.
Septin 9 polybasic domains couple phosphoinositide‐rich membrane binding to centrosome positioning, Golgi organization, and microtubule acetylation to control epithelial polarity. Their loss disrupts this axis, causing centrosome mispositioning, Golgi fragmentation, reduced microtubule acetylation, and polarity inversion via upregulation of the ...
Ting ting Cai, Mohyeddine Omrane, Nassima Benzoubir, Didier Samuel, Ama Gassama‐Diagne   +4 more
wiley   +1 more source

Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors.

Journal of medicinal chemistry, 2017
Phosphodiesterases are proving to be fruitful targets for drug discovery. At the same time fragment-based drug discovery has matured into a powerful and widely applied technique. In this communication we review the application of fragment-based drug discovery for the successful identification of novel 3',5'-cyclic nucleotide phosphodiesterase (PDE ...
Svensson, Fredrik, Bender, Andreas, Bailey, David   +2 more
openaire   +3 more sources