Development of a cell-based ligand-screening system for identifying Hsp90 inhibitors.
Sign Up to like & getrecommendations! Published in 2019 at "Biochemistry"
DOI: 10.1021/acs.biochem.9b00781
Abstract: Because of its critical roles in regulating cellular signal transduction, the molecular chaperone Heat-shock protein 90 (Hsp90) has become a novel therapeutic target for various diseases, including cancer, inflammation and neurological diseases. However, the lack… read more here.
Keywords: system; hsp90 inhibitors; cell based; ligand ... See more keywords
FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c01160
Abstract: To reduce time and cost, virtual ligand screening (VLS) often precedes experimental ligand screening in modern drug discovery. Traditionally, high-resolution structure-based docking approaches rely on experimental structures, while ligand-based approaches need known binders to the… read more here.
Keywords: protein; virtual ligand; approach; fragment ... See more keywords
FINDSITEcomb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00309
Abstract: Computational approaches for predicting protein-ligand interactions can facilitate drug lead discovery and drug target determination. We have previously developed a threading/structural-based approach, FINDSITEcomb, for the virtual ligand screening of proteins that has been extensively experimentally… read more here.
Keywords: virtual ligand; screening proteins; target; approach ... See more keywords
Ligand Screening System for the RXRα Heterodimer Using the Fluorescence RXR Agonist CU-6PMN.
Sign Up to like & getrecommendations! Published in 2023 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.2c00509
Abstract: Retinoid X receptor (RXR), a nuclear receptor (NR) that regulates transcription of target genes in a ligand binding-dependent manner, is of interest as a drug target. RXR agonists have been developed as therapeutic agents for… read more here.
Keywords: rxr agonist; screening system; rxr heterodimers; rxr ... See more keywords
On-Flow Ligand Screening Assay Based on Immobilized Nucleoside Diphosphate Kinase b from Homo sapiens
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the Brazilian Chemical Society"
DOI: 10.21577/0103-5053.20190133
Abstract: We describe an on-flow zonal affinity-based chromatography assay to screen ligands for the nucleoside diphosphate kinase B enzyme (NME2) from Homo sapiens. For the first time, we have covalently immobilized NME2 on the surface of… read more here.
Keywords: homo sapiens; diphosphate kinase; ligand screening; nucleoside diphosphate ... See more keywords