Zobrazeno 1 - 10
of 1 068
pro vyhledávání: '"fragment‐based drug discovery"'
Autor:
Klett T, Schwer M, Ernst LN, Engelhardt MU, Jaag SJ, Masberg B, Knappe C, Lämmerhofer M, Gehringer M, Boeckler FM
Publikováno v:
Drug Design, Development and Therapy, Vol Volume 18, Pp 2653-2679 (2024)
Theresa Klett,1,* Martin Schwer,1,* Larissa N Ernst,1,* Marc U Engelhardt,1 Simon J Jaag,2 Benedikt Masberg,2 Cornelius Knappe,2 Michael Lämmerhofer,2 Matthias Gehringer,3,4 Frank M Boeckler1,5 1Laboratory for Molecular Design & Pharmace
Externí odkaz:
https://doaj.org/article/1f63e6f5ceef4b5f8aa0a83e869b7c7b
Publikováno v:
Data in Brief, Vol 55, Iss , Pp 110677- (2024)
This dataset demonstrates the use of computational fragmentation-based and machine learning-aided drug discovery to generate new lead molecules for the treatment of hypertension. Specifically, the focus is on agents targeting the renin-angiotensin-al
Externí odkaz:
https://doaj.org/article/8199e551724844618705745934773b73
Publikováno v:
Journal of Structural Biology: X, Vol 9, Iss , Pp 100100- (2024)
NMR spectroscopy has played a pivotal role in fragment-based drug discovery by coupling detection of weak ligand-target binding with structural mapping of the binding site. Fragment-based screening by NMR has been successfully applied to many soluble
Externí odkaz:
https://doaj.org/article/58e477d8954449318196d947b55877a2
Autor:
Bill W. G. L. Chan, Nicholas B. Lynch, Wendy Tran, Jack M. Joyce, G. Paul Savage, Wim Meutermans, Andrew P. Montgomery, Michael Kassiou
Publikováno v:
Frontiers in Chemistry, Vol 12 (2024)
Fragment-based drug discovery (FBDD) has emerged as a powerful strategy to confront the challenges faced by conventional drug development approaches, particularly in the context of central nervous system (CNS) disorders. FBDD involves the screening o
Externí odkaz:
https://doaj.org/article/fa640cc91f804f6ab374989d624f7f85
Autor:
Jessica Lombino, Rosario Vallone, Maura Cimino, Maria Rita Gulotta, Giada De Simone, Maria Agnese Morando, Raffaele Sabbatella, Simona Di Martino, Mario Fogazza, Federica Sarno, Claudia Coronnello, Maria De Rosa, Chiara Cipollina, Lucia Altucci, Ugo Perricone, Caterina Alfano
Publikováno v:
Clinical Epigenetics, Vol 15, Iss 1, Pp 1-16 (2023)
Abstract Background Lysine demethylase enzymes (KDMs) are an emerging class of therapeutic targets, that catalyse the removal of methyl marks from histone lysine residues regulating chromatin structure and gene expression. KDM4A isoform plays an impo
Externí odkaz:
https://doaj.org/article/b96d859348f0461a9deca1a52950e217
Publikováno v:
Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 38, Iss 1, Pp 387-397 (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 bio
Externí odkaz:
https://doaj.org/article/ed3c6b42930745d2a6bd5cc66b4d848a
Publikováno v:
Biomolecules, Vol 14, Iss 9, p 1136 (2024)
NMR utilization in fragment-based drug discovery requires techniques to detect weakly binding fragments and to subsequently identify cooperatively binding fragments. Such cooperatively binding fragments can then be optimized or linked in order to dev
Externí odkaz:
https://doaj.org/article/11f4683ad8694eeeb47c020b4aea6f3f
Publikováno v:
Biophysica, Vol 3, Iss 2, Pp 362-372 (2023)
In the drug design process, a frequent task is the decomposition of small molecules into fragments. There exist a number of approaches and methods to break molecules into fragments. However, a method that allows the decomposition of molecules into no
Externí odkaz:
https://doaj.org/article/8087fa0f61084bf1b592c711a03acbe9
Autor:
Kong-Fu Zhu, Chuang Yuan, Yong-Ming Du, Kai-Lei Sun, Xiao-Kang Zhang, Horst Vogel, Xu-Dong Jia, Yuan-Zhu Gao, Qin-Fen Zhang, Da-Ping Wang, Hua-Wei Zhang
Publikováno v:
Military Medical Research, Vol 10, Iss 1, Pp 1-14 (2023)
Abstract Drug discovery is a crucial part of human healthcare and has dramatically benefited human lifespan and life quality in recent centuries, however, it is usually time- and effort-consuming. Structural biology has been demonstrated as a powerfu
Externí odkaz:
https://doaj.org/article/1e7aa7320fc1484296f985399f26e046
Publikováno v:
Molecular Oncology, Vol 16, Iss 21, Pp 3761-3777 (2022)
Fragment‐based drug discovery (FBDD) is now established as a complementary approach to high‐throughput screening (HTS). Contrary to HTS, where large libraries of drug‐like molecules are screened, FBDD screens involve smaller and less complex mo
Externí odkaz:
https://doaj.org/article/43d646f69c8940b48c4bbda4de04eb18