Academic Journal
Biodiversity of small molecules – a new perspective in screening set selection
| Τίτλος: | Biodiversity of small molecules – a new perspective in screening set selection |
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| Συγγραφείς: | Petrone, Paula, Wassermann, Anne, Lounkine, Eugen, Kutchukian, Peter, Simms, Ben, Jenkins, Jeremy, Selzer, Paul, Glick, Meir |
| Έτος έκδοσης: | 2013 |
| Συλλογή: | The Novartis Repository (Novartis, Switzerland) |
| Περιγραφή: | How is the 'diversity' of a compound set defined and how is the most appropriate compound subset identified for assay when screening the entire HTS deck is not an option? A common approach has so far been to cover as much of the chemical space as possible by screening a chemically diverse set of compounds. We show that, rather than chemical diversity, the biologic diversity of a compound library is an essential requirement for hit identification. We describe a simple and efficient approach for the design of a HTS library based on compound-target diversity. Biodiverse compound subsets outperform chemically diverse libraries regarding hit rate and the total number of unique chemical scaffolds present among hits. Specifically, by screening ∼19% of a HTS collection, we expect to discover ∼50-80% of all desired bioactive compounds. |
| Τύπος εγγράφου: | article in journal/newspaper |
| Γλώσσα: | unknown |
| ISSN: | 13596446 |
| Relation: | Petrone, Paula, Wassermann, Anne, Lounkine, Eugen, Kutchukian, Peter, Simms, Ben, Jenkins, Jeremy, Selzer, Paul and Glick, Meir (2013) Biodiversity of small molecules – a new perspective in screening set selection. Drug Discov Today, 18 (13-14). pp. 674-680. ISSN 13596446 |
| DOI: | 10.1016/j.drudis.2013.02.005 |
| Διαθεσιμότητα: | https://oak.novartis.com/8902/ http://jbx.sagepub.com/ https://doi.org/10.1016/j.drudis.2013.02.005 |
| Αριθμός Καταχώρησης: | edsbas.86671963 |
| Βάση Δεδομένων: | BASE |
| ISSN: | 13596446 |
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| DOI: | 10.1016/j.drudis.2013.02.005 |