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
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The evolution and application of RNA-focused small molecule libraries. [PDF]
RSC Chem BiolHits identified from screening diverse compound libraries against RNA targets can be used to inform design of RNA-focused libraries via computational techniques to calculate chemical similarity and physicochemical properties.
Taghavi A +6 more
europepmc +3 more sources
Inkjet Bioprinting on Parchment Paper for Hit Identification from Small Molecule Libraries [PDF]
ACS Omega, 2019 Jungmi Lee +2 more
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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
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Completion of a programmable DNA-binding small molecule library [PDF]
Tetrahedron, 2007 Hairpin pyrrole-imidazole (Py-Im) polyamides are programmable oligomers that bind the DNA minor groove in a sequence-specific manner with affinities comparable to those of natural DNA-binding proteins. These cell-permeable small molecules have been shown to enter the nuclei of live cells and downregulate endogenous gene expression.
Carey F. Hsu +9 more
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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
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Synthesis and screening of small molecule libraries active in binding to DNA [PDF]
Proceedings of the National Academy of Sciences, 1997 Five synthetic combinatorial libraries of 2,080 components each were screened as mixtures for inhibition of DNA binding to two transcription factors. Rapid, solution-phase synthesis coupled to a gel-shift assay led to the identification of two compounds active at a 5- to 10-μM concentration level.
Gerald W. Shipps +5 more
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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
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
Small-molecule discovery from DNA-encoded chemical libraries [PDF]
Chemical Society Reviews, 2011 AbstractReview: 60 refs.
Ralph E. Kleiner +2 more
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