Literature DB >> 33453364

Evaluating and evolving a screening library in academia: the St Jude approach.

Gisele Nishiguchi1, Sourav Das1, Jason Ochoada1, Heather Long1, Richard E Lee1, Zoran Rankovic1, Anang A Shelat2.   

Abstract

The quality of lead compounds is a key factor for determining the success of chemical probe and drug discovery programs. Given that high-throughput screening (HTS) continues to be a dominant lead generation paradigm, access to high-quality screening libraries is crucial for such efforts in both industry and academia. Here, we discuss the strategy implemented a decade ago to build from scratch one of the largest compound collections in academia, containing ∼575 000 carefully annotated small molecules, and a recent multidisciplinary effort designed to further enhance the collection to meet our research demands for the next decade.
Copyright © 2021 Elsevier Ltd. All rights reserved.

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Year:  2021        PMID: 33453364      PMCID: PMC8131249          DOI: 10.1016/j.drudis.2021.01.005

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  35 in total

1.  An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs.

Authors:  Emanuele Perola
Journal:  J Med Chem       Date:  2010-04-08       Impact factor: 7.446

Review 2.  Drug discovery beyond the 'rule-of-five'.

Authors:  Ming-Qiang Zhang; Barrie Wilkinson
Journal:  Curr Opin Biotechnol       Date:  2007-11-26       Impact factor: 9.740

3.  On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors.

Authors:  Mari Hansson; John Pemberton; Ola Engkvist; Isabella Feierberg; Lars Brive; Philip Jarvis; Linda Zander-Balderud; Hongming Chen
Journal:  J Biomol Screen       Date:  2013-08-23

4.  The art of the chemical probe.

Authors:  Stephen V Frye
Journal:  Nat Chem Biol       Date:  2010-03       Impact factor: 15.040

5.  New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays.

Authors:  Jonathan B Baell; Georgina A Holloway
Journal:  J Med Chem       Date:  2010-04-08       Impact factor: 7.446

6.  An Analysis of Different Components of a High-Throughput Screening Library.

Authors:  Arjun Saha; Teena Varghese; Annie Liu; Samantha J Allen; Taraneh Mirzadegan; Michael D Hack
Journal:  J Chem Inf Model       Date:  2018-09-26       Impact factor: 4.956

7.  (+)-SJ733, a clinical candidate for malaria that acts through ATP4 to induce rapid host-mediated clearance of Plasmodium.

Authors:  María Belén Jiménez-Díaz; Daniel Ebert; Yandira Salinas; Anupam Pradhan; Adele M Lehane; Marie-Eve Myrand-Lapierre; Kathleen G O'Loughlin; David M Shackleford; Mariana Justino de Almeida; Angela K Carrillo; Julie A Clark; Adelaide S M Dennis; Jonathon Diep; Xiaoyan Deng; Sandra Duffy; Aaron N Endsley; Greg Fedewa; W Armand Guiguemde; María G Gómez; Gloria Holbrook; Jeremy Horst; Charles C Kim; Jian Liu; Marcus C S Lee; Amy Matheny; María Santos Martínez; Gregory Miller; Ane Rodríguez-Alejandre; Laura Sanz; Martina Sigal; Natalie J Spillman; Philip D Stein; Zheng Wang; Fangyi Zhu; David Waterson; Spencer Knapp; Anang Shelat; Vicky M Avery; David A Fidock; Francisco-Javier Gamo; Susan A Charman; Jon C Mirsalis; Hongshen Ma; Santiago Ferrer; Kiaran Kirk; Iñigo Angulo-Barturen; Dennis E Kyle; Joseph L DeRisi; David M Floyd; R Kiplin Guy
Journal:  Proc Natl Acad Sci U S A       Date:  2014-12-01       Impact factor: 11.205

8.  Discovery of an inhibitor of a transcription factor using small molecule microarrays and diversity-oriented synthesis.

Authors:  Angela N Koehler; Alykhan F Shamji; Stuart L Schreiber
Journal:  J Am Chem Soc       Date:  2003-07-16       Impact factor: 15.419

9.  Targeted intracellular protein degradation induced by a small molecule: En route to chemical proteomics.

Authors:  Ashley R Schneekloth; Mathieu Pucheault; Hyun Seop Tae; Craig M Crews
Journal:  Bioorg Med Chem Lett       Date:  2008-07-31       Impact factor: 2.823

10.  Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.

Authors:  Dirksen E Bussiere; Lili Xie; Honnappa Srinivas; Wei Shu; Ashley Burke; Celine Be; Junping Zhao; Adarsh Godbole; Dan King; Rajeshri G Karki; Viktor Hornak; Fangmin Xu; Jennifer Cobb; Nathalie Carte; Andreas O Frank; Alexandra Frommlet; Patrick Graff; Mark Knapp; Aleem Fazal; Barun Okram; Songchun Jiang; Pierre-Yves Michellys; Rohan Beckwith; Hans Voshol; Christian Wiesmann; Jonathan M Solomon; Joshiawa Paulk
Journal:  Nat Chem Biol       Date:  2019-12-09       Impact factor: 15.040

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  4 in total

1.  Identification of Inhibitors of Fungal Fatty Acid Biosynthesis.

Authors:  Christian DeJarnette; Chris J Meyer; Alexander R Jenner; Arielle Butts; Tracy Peters; Martin N Cheramie; Gregory A Phelps; Nicole A Vita; Victoria C Loudon-Hossler; Richard E Lee; Glen E Palmer
Journal:  ACS Infect Dis       Date:  2021-11-17       Impact factor: 5.578

2.  Biophysical analysis of the Mycobacteria tuberculosis peptide binding protein DppA reveals a stringent peptide binding pocket.

Authors:  Dinesh M Fernando; Clifford T Gee; Elizabeth C Griffith; Christopher J Meyer; Laura A Wilt; Rajendra Tangallapally; Miranda J Wallace; Darcie J Miller; Richard E Lee
Journal:  Tuberculosis (Edinb)       Date:  2021-11-29       Impact factor: 2.973

3.  A protocol for high-throughput screening of histone lysine demethylase 4 inhibitors using TR-FRET assay.

Authors:  Qiong Wu; Wenwei Lin; Zhen-Mei Li; Zoran Rankovic; Stephen W White; Taosheng Chen; Jun Yang
Journal:  STAR Protoc       Date:  2021-08-26

4.  Small molecule SJ572946 activates BAK to initiate apoptosis.

Authors:  Giridhar Sekar; Geetika Singh; Xingping Qin; Cristina D Guibao; Brittany Schwam; Zintis Inde; Christy R Grace; Weixing Zhang; P Jake Slavish; Wenwei Lin; Taosheng Chen; Richard E Lee; Zoran Rankovic; Kristopher Sarosiek; Tudor Moldoveanu
Journal:  iScience       Date:  2022-09-06
  4 in total

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