ZINC-22—A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c01253
Abstract: Purchasable chemical space has grown rapidly into the tens of billions of molecules, providing unprecedented opportunities for ligand discovery but straining the tools that might exploit these molecules at scale. We have therefore developed ZINC-22,… read more here.
Keywords: multi billion; zinc; database; billion scale ... See more keywords
Efficient Ligand Discovery Using Sulfur(VI) Fluoride Reactive Fragments.
Sign Up to like & getrecommendations! Published in 2023 at "ACS chemical biology"
DOI: 10.1021/acschembio.3c00034
Abstract: Sulfur(VI) fluorides (SFs) have emerged as valuable electrophiles for the design of "beyond-cysteine" covalent inhibitors and offer potential for expansion of the liganded proteome. Since SFs target a broad range of nucleophilic amino acids, they… read more here.
Keywords: reactive fragments; discovery using; efficient ligand; ligand discovery ... See more keywords
Diverse Redoxome Reactivity Profiles of Carbon Nucleophiles.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.7b01791
Abstract: Targeted covalent inhibitors have emerged as a powerful approach in the drug discovery pipeline. Key to this process is the identification of signaling pathways (or receptors) specific to (or overexpressed in) disease cells. In this… read more here.
Keywords: reactivity profiles; ligand discovery; covalent;
SHAPE-enabled fragment-based ligand discovery for RNA
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2122660119
Abstract: Significance RNA molecules encode proteins and play numerous regulatory roles in cells. Targeting RNA with small molecules, as is routine with proteins, would create broad opportunities for modulating biology and creating new drugs. However, this… read more here.
Keywords: fragment based; rna; based ligand; ligand discovery ... See more keywords