63 research outputs found
Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining
Molecular target identification is of central importance to drug discovery. Here, we developed a computational approach, named bioactivity profile similarity search (BASS), for associating targets to small molecules by using the known target annotations of related compounds from public databases. To evaluate BASS, a bioactivity profile database was constructed using 4296 compounds that were commonly tested in the US National Cancer Institute 60 human tumor cell line anticancer drug screen (NCI-60). Each compound was used as a query to search against the entire bioactivity profile database, and reference compounds with similar bioactivity profiles above a threshold of 0.75 were considered as neighbor compounds of the query. Potential targets were subsequently linked to the identified neighbor compounds by using the known targets o
Recovery of sealed H35 hepatoma cells in monolayer culture following lysolecithin permeabilization
Essential arginyl residues in thymidylate synthetase from amethopterin-resistant Lactobacillus casei
Characterization of a Membrane-Bound Biotin-Containing Enzyme: Oxaloacetate Decarboxylase from Klebsiella aerogenes
The carboxyltransferase activity of the sodium-ion-translocating methylmalonyl-CoA decarboxylase of Veillonella alcalescens
Membrane characteristics of adult rat liver parenchymal cells in primary monolayer culture
Thermodynamic Stabilization of Nucleotide Binding to Thymidylate Synthase by A Potent Benzoquinazoline Folate Analogue Inhibitor
Effects of Subunit Occupancy on Partitioning of an Intermediate in Thymidylate Synthase Mutants
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