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Fragment-Based Lead Discovery Strategies in Antimicrobial Drug Discovery [PDF]
Antibiotics, 2023 Fragment-based lead discovery (FBLD) is a powerful application for developing ligands as modulators of disease targets. This approach strategy involves identification of interactions between low-molecular weight compounds (100–300 Da) and their putative ...
Monika I. Konaklieva, Balbina J. Plotkin
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Integration of Lead Discovery Tactics and the Evolution of the Lead Discovery Toolbox
SLAS Discovery, 2018 There has been much debate around the success rates of various screening strategies to identify starting points for drug discovery. Although high-throughput target-based and phenotypic screening has been the focus of this debate, techniques such as fragment screening, virtual screening, and DNA-encoded library screening are also increasingly reported ...
Melanie Leveridge +2 more
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In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
Frontiers in Chemistry, 2020 Fragment-based drug (or lead) discovery (FBDD or FBLD) has developed in the last two decades to become a successful key technology in the pharmaceutical industry for early stage drug discovery and development.
Lauro Ribeiro de Souza Neto +9 more
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Multiparameter ranking of carbazoles for anti-trypanosome lead discovery [PDF]
Frontiers in Drug DiscoveryThe criteria for the progression of hits in the discovery of leads for human African trypanosomiasis (HAT), a neglected disease caused by the microbial eukaryote Trypanosoma brucei, are not standardized. Hits are advanced upon meeting thresholds for drug-
Amrita Sharma +5 more
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Process of Fragment-Based Lead Discovery—A Perspective from NMR [PDF]
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
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Virtual Screening in Lead Discovery: A Viewpoint [PDF]
Molecules, 2002 Virtual screening (VS) methods have emerged as an adaptive response to massive throughput synthesis and screening technologies. Based on the structure-permeability paradigm, the Lipinski rule of five has become a standard property filtering protocol for ...
Tudor Ionel Oprea
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1D NMR WaterLOGSY as an efficient method for fragment-based lead discovery [PDF]
Journal of Enzyme Inhibition and Medicinal Chemistry, 2019 Claire Raingeval +2 more
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BRET measurement on CCD camera-based microtiter plate readers
SLAS Discovery, 2022 NanoBRET assays, which utilize bioluminescence energy resonance transfer (BRET), have been widely adopted in drug discovery for measuring both protein-protein interactions and drug target engagement. While the EnVision and other traditional well-scanning
Kelvin F. Cho +2 more
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Communications Biology, 2021 Malvezzi et al. discuss the impact of BRD4 phosphorylation on the formation of dimers and identify the key residues necessary for this dimerization. They also discuss the differential role of monovalent and bivalents bromodomain inhibitors regarding the ...
Francesca Malvezzi +9 more
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mAbs, 2020 The development of antibody therapeutics relies on animal models that accurately recapitulate disease biology. Syngeneic mouse models are increasingly used with new molecules to capture the biology of complex cancers and disease states, and to provide ...
Feng Wang +17 more
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