Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c00372
Abstract: Membrane pan-assay interference compounds (PAINS) are a class of molecules that interact nonspecifically with lipid bilayers and alter their physicochemical properties. An early identification of these compounds avoids chasing false leads and the needless waste… read more here.
Keywords: assay interference; interference compounds; membrane pan; membrane ... See more keywords
How Frequently Are Pan-Assay Interference Compounds Active? Large-Scale Analysis of Screening Data Reveals Diverse Activity Profiles, Low Global Hit Frequency, and Many Consistently Inactive Compounds.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.7b00154
Abstract: Undetected pan-assay interference compounds (PAINS) with false-positive activities in assays often propagate through medicinal chemistry programs and compromise their outcomes. Although a large number of PAINS have been classified, often on the basis of individual… read more here.
Keywords: consistently inactive; assay interference; activity profiles; chemistry ... See more keywords
Investigating the Behavior of Published PAINS Alerts Using a Pharmaceutical Company Data Set
Sign Up to like & getrecommendations! Published in 2018 at "ACS Medicinal Chemistry Letters"
DOI: 10.1021/acsmedchemlett.8b00097
Abstract: Biochemical assay interference is becoming increasingly recognized as a significant waste of resource in drug discovery, both in industry and academia. A seminal publication from Baell and Holloway raised the awareness of this issue, and… read more here.
Keywords: behavior published; published pains; investigating behavior; pains alerts ... See more keywords