Literature DB >> 36083558

Analysis of DNA-Encoded Library Screening Data: Selection of Molecules for Synthesis.

Alexander L Satz1, Weiren Cui2.   

Abstract

DNA-encoded library (DEL) screens are used to discover novel chemical matter capable of modulating the activity of pharmaceutically interesting protein targets. DEL selections are accomplished by immobilizing a target protein on a resin and capturing library molecules that bind to the target. The barcodes of the captured library molecules are then amplified and sequenced. This chapter outlines simple methods for visualizing the resulting screening data (using free open-source software), such that enriched molecules can be selected for synthesis and follow-up activity confirmation. Measures of enrichment and the concept of sub-libraries are also illustrated.
© 2022. Springer Science+Business Media, LLC, part of Springer Nature.

Entities:  

Keywords:  DNA-encoded library; Data visualization; Enrichment; Hit molecules; Library; Screening; Small molecules; Triazine; Truncates

Mesh:

Substances:

Year:  2022        PMID: 36083558     DOI: 10.1007/978-1-0716-2545-3_23

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  9 in total

1.  Design, synthesis and selection of DNA-encoded small-molecule libraries.

Authors:  Matthew A Clark; Raksha A Acharya; Christopher C Arico-Muendel; Svetlana L Belyanskaya; Dennis R Benjamin; Neil R Carlson; Paolo A Centrella; Cynthia H Chiu; Steffen P Creaser; John W Cuozzo; Christopher P Davie; Yun Ding; G Joseph Franklin; Kurt D Franzen; Malcolm L Gefter; Steven P Hale; Nils J V Hansen; David I Israel; Jinwei Jiang; Malcolm J Kavarana; Michael S Kelley; Christopher S Kollmann; Fan Li; Kenneth Lind; Sibongile Mataruse; Patricia F Medeiros; Jeffrey A Messer; Paul Myers; Heather O'Keefe; Matthew C Oliff; Cecil E Rise; Alexander L Satz; Steven R Skinner; Jennifer L Svendsen; Lujia Tang; Kurt van Vloten; Richard W Wagner; Gang Yao; Baoguang Zhao; Barry A Morgan
Journal:  Nat Chem Biol       Date:  2009-08-02       Impact factor: 15.040

2.  DataWarrior: an open-source program for chemistry aware data visualization and analysis.

Authors:  Thomas Sander; Joel Freyss; Modest von Korff; Christian Rufener
Journal:  J Chem Inf Model       Date:  2015-02-02       Impact factor: 4.956

3.  DNA Encoded Library Selections and Insights Provided by Computational Simulations.

Authors:  Alexander L Satz
Journal:  ACS Chem Biol       Date:  2015-07-27       Impact factor: 5.100

Review 4.  DNA-encoded chemistry: enabling the deeper sampling of chemical space.

Authors:  Robert A Goodnow; Christoph E Dumelin; Anthony D Keefe
Journal:  Nat Rev Drug Discov       Date:  2016-12-09       Impact factor: 84.694

5.  What Do You Get from DNA-Encoded Libraries?

Authors:  Alexander L Satz
Journal:  ACS Med Chem Lett       Date:  2018-04-17       Impact factor: 4.345

6.  Simulated Screens of DNA Encoded Libraries: The Potential Influence of Chemical Synthesis Fidelity on Interpretation of Structure-Activity Relationships.

Authors:  Alexander L Satz
Journal:  ACS Comb Sci       Date:  2016-05-13       Impact factor: 3.784

7.  Denoising DNA Encoded Library Screens with Sparse Learning.

Authors:  Péter Kómár; Marko Kalinić
Journal:  ACS Comb Sci       Date:  2020-06-26       Impact factor: 3.784

8.  Quantitative Comparison of Enrichment from DNA-Encoded Chemical Library Selections.

Authors:  John C Faver; Kevin Riehle; David R Lancia; Jared B J Milbank; Christopher S Kollmann; Nicholas Simmons; Zhifeng Yu; Martin M Matzuk
Journal:  ACS Comb Sci       Date:  2019-01-23       Impact factor: 3.784

9.  Automated screening for small organic ligands using DNA-encoded chemical libraries.

Authors:  Willy Decurtins; Moreno Wichert; Raphael M Franzini; Fabian Buller; Michael A Stravs; Yixin Zhang; Dario Neri; Jörg Scheuermann
Journal:  Nat Protoc       Date:  2016-03-17       Impact factor: 13.491

  9 in total

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