Results 21 to 30 of about 109,018 (245)

NeuralDock: Rapid and Conformation-Agnostic Docking of Small Molecules

Frontiers in Molecular Biosciences, 2022
Virtual screening is a cost- and time-effective alternative to traditional high-throughput screening in the drug discovery process. Both virtual screening approaches, structure-based molecular docking and ligand-based cheminformatics, suffer from ...
Congzhou M. Sha, Congzhou M. Sha, Jian Wang, Nikolay V. Dokholyan, Nikolay V. Dokholyan, Nikolay V. Dokholyan, Nikolay V. Dokholyan   +6 more
doaj   +1 more source

Elimination of PCR duplicates in RNA-seq and small RNA-seq using unique molecular identifiers

BMC Genomics, 2018
Background RNA-seq and small RNA-seq are powerful, quantitative tools to study gene regulation and function. Common high-throughput sequencing methods rely on polymerase chain reaction (PCR) to expand the starting material, but not every molecule ...
Yu Fu, Pei-Hsuan Wu, Timothy Beane, Phillip D. Zamore, Zhiping Weng   +4 more
doaj   +1 more source

Design of a multi-target focused library for antidiabetic targets using a comprehensive set of chemical transformation rules

Frontiers in Pharmacology, 2023
Virtual small molecule libraries are valuable resources for identifying bioactive compounds in virtual screening campaigns and improving the quality of libraries in terms of physicochemical properties, complexity, and structural diversity.
Fernanda I. Saldívar-González, Gabriel Navarrete-Vázquez, José L. Medina-Franco   +2 more
doaj   +1 more source

Discovery of retinoic acid receptor agonists as proliferators of cardiac progenitor cells through a phenotypic screening approach

Stem Cells Translational Medicine, 2020
Identification of small molecules with the potential to selectively proliferate cardiac progenitor cells (CPCs) will aid our understanding of the signaling pathways and mechanisms involved and could ultimately provide tools for regenerative therapies for
Lauren Drowley, Jane McPheat, Anneli Nordqvist, Samantha Peel, Ulla Karlsson, Sofia Martinsson, Erik Müllers, Anita Dellsén, Sinead Knight, Ian Barrett, José Sánchez, Björn Magnusson, Boris Greber, Qing‐Dong Wang, Alleyn T. Plowright   +14 more
doaj   +1 more source

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.
Shipps, Gerald W., Jr., Pryor, Kent E., Xian, Jun, Skyler, David A., Davidson, Eric H., Rebek, Julius, Jr.   +5 more
openaire   +3 more sources

Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries

Cells, 2022
Design and generation of high-quality target- and scaffold-specific small molecules is an important strategy for the discovery of unique and potent bioactive drug molecules.
Yuemin Bian, Xiang-Qun Xie
doaj   +1 more source

Identification of Small Molecule Inhibitors of Clostridium perfringens ε-Toxin Cytotoxicity Using a Cell-Based High-Throughput Screen

Toxins, 2010
The Clostridium perfringens epsilon toxin, a select agent, is responsible for a severe, often fatal enterotoxemia characterized by edema in the heart, lungs, kidney, and brain. The toxin is believed to be an oligomeric pore-forming toxin.
Mark S. McClain, Michelle Lewis, Charles David Weaver   +2 more
doaj   +1 more source

An ultra high-throughput, whole-animal screen for small molecule modulators of a specific genetic pathway in Caenorhabditis elegans. [PDF]

PLoS ONE, 2013
High-throughput screening (HTS) is a powerful approach to drug discovery, but many lead compounds are found to be unsuitable for use in vivo after initial screening. Screening in small animals like C.
Chi K Leung, Ying Wang, Siobhan Malany, Andrew Deonarine, Kevin Nguyen, Stefan Vasile, Keith P Choe   +6 more
doaj   +1 more source

Identification of Inhibitors of Integrin Cytoplasmic Domain Interactions With Syk

Frontiers in Immunology, 2021
Leukocyte inflammatory responses require integrin cell-adhesion molecule signaling through spleen tyrosine kinase (Syk), a non-receptor kinase that binds directly to integrin β-chain cytoplasmic domains.
Deenadayalan Bakthavatsalam, John W. Craft, John W. Craft, Anna Kazansky, Nghi Nguyen, Goeun Bae, Amy R. Caivano, C. William Gundlach, Asra Aslam, Safa Ali, Shashikant Gupta, Sophie Y. Lin, Hema D. Parthiban, Peter Vanderslice, Clifford C. Stephan, Darren G. Woodside   +15 more
doaj   +1 more source

Identification of protein interaction antagonists using the repressed transactivator two-hybrid system

BioTechniques, 2007
The repressed transactivator (RTA) yeast two-hybrid system was developed to enable genetic identification of interactions with transcriptional activator proteins.
Phalgun B. Joshi, Martin Hirst, Tom Malcolm, Jennifer Parent, David Mitchell, Karen Lund, Ivan Sadowski   +6 more
doaj   +1 more source