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Dark chemical matter in public screening assays and derivation of target hypotheses.

ABSTRACT: Compounds that are consistently inactive in many screening assays, so-called dark chemical matter (DCM), have recently experienced increasing attention. One of the reasons is that many DCM compounds may not be fully inert biologically, but may provide interesting leads for obtaining compounds that are highly selective or active against unusual targets. In this study, we have systematically identified DCM among extensively assayed screening compounds and searched for analogs of these compounds that have known bioactivities. Analog series containing DCM and known bioactive compounds were generated on a large scale, making it possible to derive target hypotheses for more than 8000 extensively assayed DCM molecules.

SUBMITTER: Jasial S

PROVIDER: S-EPMC6071712 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Dark chemical matter in public screening assays and derivation of target hypotheses.

Jasial Swarit S Bajorath Jürgen J

MedChemComm 20171026 11

Compounds that are consistently inactive in many screening assays, so-called dark chemical matter (DCM), have recently experienced increasing attention. One of the reasons is that many DCM compounds may not be fully inert biologically, but may provide interesting leads for obtaining compounds that are highly selective or active against unusual targets. In this study, we have systematically identified DCM among extensively assayed screening compounds and searched for analogs of these compounds th ...[more]

PMID: 30108727

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Project description:In the late 20th century, cosmology became a precision science. Now, at the beginning of the next century, the parameters describing how our universe evolved from the Big Bang are generally known to a few percent. One key parameter is the total mass density of the universe. Normal matter constitutes only a small fraction of the total mass density. Observations suggest this additional mass, the dark matter, is cold (that is, moving nonrelativistically in the early universe) and interacts feebly if at all with normal matter and radiation. There's no known such elementary particle, so the strong presumption is the dark matter consists of particle relics of a new kind left over from the Big Bang. One of the most important questions in science is the nature of this dark matter. One attractive particle dark-matter candidate is the axion. The axion is a hypothetical elementary particle arising in a simple and elegant extension to the standard model of particle physics that nulls otherwise observable CP-violating effects (where CP is the product of charge reversal C and parity inversion P) in quantum chromo dynamics (QCD). A light axion of mass 10(-(6-3)) eV (the invisible axion) would couple extraordinarily weakly to normal matter and radiation and would therefore be extremely difficult to detect in the laboratory. However, such an axion is a compelling dark-matter candidate and is therefore a target of a number of searches. Compared with other particle dark-matter candidates, the plausible range of axion dark-matter couplings and masses is narrowly constrained. This focused search range allows for definitive searches, where a nonobservation would seriously impugn the dark-matter QCD-axion hypothesis. Axion searches use a wide range of technologies, and the experiment sensitivities are now reaching likely dark-matter axion couplings and masses. This article is a selective overview of the current generation of sensitive axion searches. Not all techniques and experiments are discussed, but I hope to give a sense of the current experimental landscape of the search for dark-matter axions.

Dataset Information

Dark chemical matter in public screening assays and derivation of target hypotheses.

Publications

Dark chemical matter in public screening assays and derivation of target hypotheses.

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