Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening [PDF]
Journal of Cheminformatics, 2019 Computational techniques such as structure-based virtual screening require carefully prepared 3D models of potential small-molecule ligands. Though powerful, existing commercial programs for virtual-library preparation have restrictive and/or expensive ...
Patrick J. Ropp +7 more
doaj +5 more sources
Application of temperature-responsive HIS-tag fluorophores to differential scanning fluorimetry screening of small molecule libraries [PDF]
Frontiers in Pharmacology, 2022 Differential scanning fluorimetry is a rapid and economical biophysical technique used to monitor perturbations to protein structure during a thermal gradient, most often by detecting protein unfolding events through an environment-sensitive fluorophore.
Michael H. Ronzetti +8 more
doaj +5 more sources
High-content analysis of proapoptotic EphA4 dependence receptor functions using small-molecule libraries. [PDF]
J Biomol Screen, 2012 Small-molecule compounds (SMCs) can provide an inexpensive and selective approach to modifying biological responses. High-content analysis (HCA) of SMC libraries can help identify candidate molecules that inhibit or activate cellular responses.
Nelersa CM +8 more
europepmc +4 more sources
Integrated Platform for Expedited Synthesis-Purification-Testing of Small Molecule Libraries. [PDF]
ACS Med Chem Lett, 2017 Baranczak A +5 more
europepmc +4 more sources
Highly multiplexed selection of RNA aptamers against a small molecule library
PLoS ONE, 2022 Applications of synthetic biology spanning human health, industrial bioproduction, and ecosystem monitoring often require small molecule sensing capabilities, typically in the form of genetically encoded small molecule biosensors.
Brent Townshend +2 more
doaj +4 more sources
Fluorescent peptide displacement as a general assay for screening small molecule libraries against RNA. [PDF]
Org Biomol Chem, 2019 A prominent hurdle in developing small molecule probes against RNA is the relative scarcity of general screening methods. In this study, we demonstrate the application of a fluorescent peptide displacement assay to screen small molecule probes against ...
Patwardhan NN +3 more
europepmc +2 more sources
Identification of selective hepatitis delta virus ribozyme inhibitors by high-throughput screening of small molecule libraries [PDF]
JHEP Reports, 2023 Background & Aims: Chronic hepatitis delta is the most severe form of chronic viral hepatitis and is associated with faster progression towards cirrhosis, liver decompensation, and hepatocellular carcinoma.
Eirini D. Tseligka +5 more
doaj +2 more sources
Sensitive ADAR editing reporter in cancer cells enables high-throughput screening of small molecule libraries. [PDF]
Nucleic Acids Res, 2019 Adenosine to inosine editing is common in the human transcriptome and changes of this essential activity is associated with disease. Children with ADAR1 mutations develop fatal Aicardi-Goutières syndrome characterized by aberrant interferon expression ...
Fritzell K +4 more
europepmc +2 more sources
Small-molecule discovery through DNA-encoded libraries
Nature Reviews Drug Discovery, 2023 The development of bioactive small molecules as probes or drug candidates requires discovery platforms that enable access to chemical diversity and can quickly reveal new ligands for a target of interest. Within the past 15 years, DNA-encoded library (DEL) technology has matured into a widely used platform for small-molecule discovery, yielding a wide ...
Alexander A. Peterson, David R. Liu
openaire +3 more sources
Synthesis of Diazacyclic and Triazacyclic Small-Molecule Libraries Using Vicinal Chiral Diamines Generated from Modified Short Peptides and Their Application for Drug Discovery [PDF]
PharmaceuticalsSmall-molecule probes are powerful tools for studying biological systems and can serve as lead compounds for developing new therapeutics. Especially, nitrogen heterocycles are of considerable importance in the pharmaceutical field.
Mukund P. Tantak +4 more
doaj +2 more sources