Results 11 to 20 of about 251,372 (253)
A Lead-Based Fragment Library Screening of the Glycosyltransferase WaaG from Escherichia coli [PDF]
Pharmaceuticals, 2022 Glucosyl transferase I (WaaG) in E. coli catalyzes the transfer of an α-d-glucosyl group to the inner core of the lipopolysaccharide (LPS) and plays an important role in the biogenesis of the outer membrane.
Federico Riu +9 more
doaj +2 more sources
Fragment Library of Natural Products and Compound Databases for Drug Discovery [PDF]
Biomolecules, 2020 Natural products and semi-synthetic compounds continue to be a significant source of drug candidates for a broad range of diseases, including coronavirus disease 2019 (COVID-19), which is causing the current pandemic.
Ana L. Chávez-Hernández +2 more
doaj +2 more sources
Synthesis of a Borrelia burgdorferi-Derived Muropeptide Standard Fragment Library [PDF]
MoleculesThe interplay between the human innate immune system and bacterial cell wall components is pivotal in understanding diseases such as Crohn’s disease and Lyme arthritis.
Rachel Putnik +7 more
doaj +2 more sources
Characterization of the Second-Generation Covalent Fragment Library (CovLib Gen2): Thiol Reactivity Profiling and p53-Y220C Rescue [PDF]
Drug Design, Development and TherapyMartin Schwer,1 Sven R Aldea,1 Marc U Engelhardt,1 Jason Stahlecker,1 Janosch Rheinganz,1 Aaron Langkamp,1 Frank M Boeckler1,2 1Department of Pharmacy and Biochemistry, Laboratory for Molecular Design & Pharmaceutical Biophysics, Eberhard Karls ...
Schwer M +6 more
doaj +2 more sources
Unlocking the potential of marine natural product fragments for rational anticancer drug design: a computational approach [PDF]
Scientific ReportsMarine natural products (MNPs) offer a vast and diverse reservoir of chemically rich compounds that remain underexplored for fragment-based drug discovery (FBDD) against cancer.
Marineil C. Gomez +2 more
doaj +2 more sources
Library screening by fragment‐based docking [PDF]
Journal of Molecular Recognition, 2009 AbstractWe review our computational tools for high‐throughput screening by fragment‐based docking of large collections of small molecules. Applications to six different enzymes, four proteases, and two protein kinases, are presented. Remarkably, several low‐micromolar inhibitors were discovered in each of the high‐throughput docking campaigns. Probable
Huang, Danzhi, Caflisch, Amedeo
openaire +4 more sources
Chelator Fragment Libraries for Targeting Metalloproteinases [PDF]
ChemMedChem, 2010 A chelator fragment library based on a variety of metal binding groups was screened against a metalloproteinase. Lead hits were identified and an expanded library of select compounds was synthesized, resulting in numerous high-affinity hits against several metalloprotein targets.
Arpita, Agrawal +6 more
openaire +2 more sources
Covalent fragment libraries in drug discovery
Drug Discovery Today, 2020 Targeted covalent inhibitors and chemical probes have become integral parts of drug discovery approaches. Given the advantages of fragment-based drug discovery, screening electrophilic fragments emerged as a promising alternative to discover and validate novel targets and to generate viable chemical starting points even for targets that are barely ...
Keeley, Aaron +3 more
openaire +2 more sources
Manuscript Fragments in Greek Libraries [PDF]
Fragmentology, 2019 A case study on fragments in Greek manuscript collections was conducted at the Center for History and Palaeography of the National Bank of Greece Cultural Foundation. The majority of the manuscripts for the study come from hard-to-reach monastic libraries and were microfilmed by the Center. The study focused on a selection of collections, including the
Athina Almpani, Agamemnon Tselikas
openaire +1 more source
Process of Fragment-Based Lead Discovery—A Perspective from NMR
Molecules, 2016 Fragment-based lead discovery (FBLD) has proven fruitful during the past two decades for a variety of targets, even challenging protein–protein interaction (PPI) systems.
Rongsheng Ma +3 more
doaj +1 more source