Ajit Jadhav

Ajit Jadhav

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Ajit Jadhav

Publications by authors named "Ajit Jadhav"

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A Comparative Study of Target Engagement Assays for HDAC1 Inhibitor Profiling.

SLAS Discov 2020 Mar 29;25(3):253-264. Epub 2019 Oct 29.

National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA.

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http://dx.doi.org/10.1177/2472555219883625DOI Listing
March 2020

Identification of Small Molecule Enhancers of Immunotherapy for Melanoma.

Sci Rep 2020 Mar 30;10(1):5688. Epub 2020 Mar 30.

Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, Rockville, Maryland, USA.

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http://dx.doi.org/10.1038/s41598-020-62369-1DOI Listing
March 2020

Identification of Activators of Human Fumarate Hydratase by Quantitative High-Throughput Screening.

SLAS Discov 2020 Jan 14;25(1):43-56. Epub 2019 Sep 14.

National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA.

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http://dx.doi.org/10.1177/2472555219873559DOI Listing
January 2020

Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets.

J Chem Inf Model 2019 Nov 29;59(11):4880-4892. Epub 2019 Oct 29.

National Center for Advancing Translational Science , 9800 Medical Center Drive , Rockville , Maryland 20850 , United States.

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http://dx.doi.org/10.1021/acs.jcim.9b00243DOI Listing
November 2019

Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.

Bioorg Med Chem Lett 2019 05 12;29(10):1220-1226. Epub 2019 Mar 12.

National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD 20850, United States. Electronic address:

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http://dx.doi.org/10.1016/j.bmcl.2019.03.014DOI Listing
May 2019

KDM5 Histone Demethylase Activity Links Cellular Transcriptomic Heterogeneity to Therapeutic Resistance.

Cancer Cell 2018 12 21;34(6):939-953.e9. Epub 2018 Nov 21.

Department of Medical Oncology, Dana-Farber Cancer Institute, Boston, MA 02215, USA; Department of Medicine, Harvard Medical School, Boston, MA 02115, USA; Center for Cancer Evolution, Dana-Farber Cancer Institute, Boston, MA 02215, USA; The Eli and Edythe L Broad Institute of MIT and Harvard, Cambridge, MA 02139, USA; Center for Functional Cancer Epigenetics, Dana-Farber Cancer Institute, Boston, MA 02215, USA; Ludwig Center at Harvard, Boston, MA 02215, USA. Electronic address:

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https://linkinghub.elsevier.com/retrieve/pii/S15356108183048
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http://dx.doi.org/10.1016/j.ccell.2018.10.014DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6310147PMC
December 2018

Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.

ACS Cent Sci 2018 Dec 5;4(12):1727-1741. Epub 2018 Dec 5.

National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States.

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http://dx.doi.org/10.1021/acscentsci.8b00747DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6311695PMC
December 2018

Discovery and lead identification of quinazoline-based BRD4 inhibitors.

Bioorg Med Chem Lett 2018 11 31;28(21):3483-3488. Epub 2018 Aug 31.

National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD 20850, United States. Electronic address:

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http://dx.doi.org/10.1016/j.bmcl.2018.08.039DOI Listing
November 2018

Identifying hotspots in land use land cover change and the drivers in a semi-arid region of India.

Environ Monit Assess 2018 Aug 20;190(9):535. Epub 2018 Aug 20.

Centre for Resilience Studies, Watershed Organisation Trust, Pune, 411009, India.

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http://dx.doi.org/10.1007/s10661-018-6919-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6105204PMC
August 2018

Chemical Control of a CRISPR-Cas9 Acetyltransferase.

ACS Chem Biol 2018 02 17;13(2):455-460. Epub 2018 Jan 17.

Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health , Frederick, Maryland 21702, United States.

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http://dx.doi.org/10.1021/acschembio.7b00883DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6320253PMC
February 2018

AlphaScreen-Based Assays: Ultra-High-Throughput Screening for Small-Molecule Inhibitors of Challenging Enzymes and Protein-Protein Interactions.

Methods Mol Biol 2016 ;1439:77-98

National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Building B, Rm. 1034E, Rockville, MD, 20850, USA.

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http://link.springer.com/10.1007/978-1-4939-3673-1_5
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http://dx.doi.org/10.1007/978-1-4939-3673-1_5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5444910PMC
December 2017

First Selective 12-LOX Inhibitor, ML355, Impairs Thrombus Formation and Vessel Occlusion In Vivo With Minimal Effects on Hemostasis.

Arterioscler Thromb Vasc Biol 2017 10 3;37(10):1828-1839. Epub 2017 Aug 3.

From the Department of Pharmacology (R.A., B.E.T., K.M., J.Y., M.H.) and Department of Internal Medicine, Division of Cardiovascular Medicine (M.H.), University of Michigan, Ann Arbor; Chemistry and Biochemistry, University of California Santa Cruz (J.C.F., A.G., T.R.H.); and National Institutes of Health Chemical Genomics Center, National Center for Advancing Translational Sciences, Rockville, MD (D.K.L., A.J., A.S., D.J.M.).

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http://dx.doi.org/10.1161/ATVBAHA.117.309868DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5620123PMC
October 2017

Parallel Chemistry Approach to Identify Novel Nuclear Receptor Ligands Based on the GW0742 Scaffold.

ACS Comb Sci 2017 10 5;19(10):646-656. Epub 2017 Sep 5.

Department of Chemistry and Biochemistry, Milwaukee Institute for Drug Discovery, University of Wisconsin , Milwaukee, Wisconsin 53211, United States.

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http://dx.doi.org/10.1021/acscombsci.7b00066DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5643073PMC
October 2017

Cell Lysate-Based AlphaLISA Deubiquitinase Assay Platform for Identification of Small Molecule Inhibitors.

ACS Chem Biol 2017 09 24;12(9):2399-2407. Epub 2017 Aug 24.

Department of Chemistry and Biochemistry, University of Delaware , 214A Drake Hall, Newark, Delaware 19716, United States.

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http://pubs.acs.org/doi/10.1021/acschembio.7b00543
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http://dx.doi.org/10.1021/acschembio.7b00543DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947317PMC
September 2017

Lecithin:Cholesterol Acyltransferase Activation by Sulfhydryl-Reactive Small Molecules: Role of Cysteine-31.

J Pharmacol Exp Ther 2017 08 2;362(2):306-318. Epub 2017 Jun 2.

Lipid Metabolism Section, Cardiovascular and Pulmonary Branch (L.A.F., S.J.D., S.M.G., B.L.V., R.D.S., A.T.R.), Systems Biology Center (A.A., M.G.), and Laboratory of Biochemistry (R.L.L.), National Institutes of Health National Heart, Lung, and Blood Institute, Bethesda, Maryland; Department of Chemistry, American University, Washington, DC (M.K., R.K.); University of Milano, Milano, Italy (A.F.O., L.C.); Department of Chemistry, Vanderbilt University, Nashville, Tennessee (R.F.K.); Departments of Pharmacology and Biological Chemistry, Life Sciences Institute, University of Michigan, Ann Arbor, Michigan (K.A.M., J.J.G.T.); and National Institutes of Health National Center for Advancing Translational Sciences, Bethesda, Maryland (M.S., A.J.)

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http://jpet.aspetjournals.org/lookup/doi/10.1124/jpet.117.24
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http://dx.doi.org/10.1124/jpet.117.240457DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5510151PMC
August 2017

Varied Role of Ubiquitylation in Generating MHC Class I Peptide Ligands.

J Immunol 2017 05 31;198(10):3835-3845. Epub 2017 Mar 31.

Laboratory of Viral Diseases, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Bethesda, MD 20892;

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http://dx.doi.org/10.4049/jimmunol.1602122DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5426817PMC
May 2017

Highly predictive and interpretable models for PAMPA permeability.

Bioorg Med Chem 2017 02 31;25(3):1266-1276. Epub 2016 Dec 31.

National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, Bethesda, MD 20892, USA. Electronic address:

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http://dx.doi.org/10.1016/j.bmc.2016.12.049DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5291813PMC
February 2017

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking.

Authors:
Mingxun Wang Jeremy J Carver Vanessa V Phelan Laura M Sanchez Neha Garg Yao Peng Don Duy Nguyen Jeramie Watrous Clifford A Kapono Tal Luzzatto-Knaan Carla Porto Amina Bouslimani Alexey V Melnik Michael J Meehan Wei-Ting Liu Max Crüsemann Paul D Boudreau Eduardo Esquenazi Mario Sandoval-Calderón Roland D Kersten Laura A Pace Robert A Quinn Katherine R Duncan Cheng-Chih Hsu Dimitrios J Floros Ronnie G Gavilan Karin Kleigrewe Trent Northen Rachel J Dutton Delphine Parrot Erin E Carlson Bertrand Aigle Charlotte F Michelsen Lars Jelsbak Christian Sohlenkamp Pavel Pevzner Anna Edlund Jeffrey McLean Jörn Piel Brian T Murphy Lena Gerwick Chih-Chuang Liaw Yu-Liang Yang Hans-Ulrich Humpf Maria Maansson Robert A Keyzers Amy C Sims Andrew R Johnson Ashley M Sidebottom Brian E Sedio Andreas Klitgaard Charles B Larson Cristopher A Boya P Daniel Torres-Mendoza David J Gonzalez Denise B Silva Lucas M Marques Daniel P Demarque Egle Pociute Ellis C O'Neill Enora Briand Eric J N Helfrich Eve A Granatosky Evgenia Glukhov Florian Ryffel Hailey Houson Hosein Mohimani Jenan J Kharbush Yi Zeng Julia A Vorholt Kenji L Kurita Pep Charusanti Kerry L McPhail Kristian Fog Nielsen Lisa Vuong Maryam Elfeki Matthew F Traxler Niclas Engene Nobuhiro Koyama Oliver B Vining Ralph Baric Ricardo R Silva Samantha J Mascuch Sophie Tomasi Stefan Jenkins Venkat Macherla Thomas Hoffman Vinayak Agarwal Philip G Williams Jingqui Dai Ram Neupane Joshua Gurr Andrés M C Rodríguez Anne Lamsa Chen Zhang Kathleen Dorrestein Brendan M Duggan Jehad Almaliti Pierre-Marie Allard Prasad Phapale Louis-Felix Nothias Theodore Alexandrov Marc Litaudon Jean-Luc Wolfender Jennifer E Kyle Thomas O Metz Tyler Peryea Dac-Trung Nguyen Danielle VanLeer Paul Shinn Ajit Jadhav Rolf Müller Katrina M Waters Wenyuan Shi Xueting Liu Lixin Zhang Rob Knight Paul R Jensen Bernhard O Palsson Kit Pogliano Roger G Linington Marcelino Gutiérrez Norberto P Lopes William H Gerwick Bradley S Moore Pieter C Dorrestein Nuno Bandeira

Nat Biotechnol 2016 08;34(8):828-837

Center for Computational Mass Spectrometry, UC San Diego, La Jolla, United States.

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http://dx.doi.org/10.1038/nbt.3597DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5321674PMC
August 2016

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.

Authors:
Wesley C Van Voorhis John H Adams Roberto Adelfio Vida Ahyong Myles H Akabas Pietro Alano Aintzane Alday Yesmalie Alemán Resto Aishah Alsibaee Ainhoa Alzualde Katherine T Andrews Simon V Avery Vicky M Avery Lawrence Ayong Mark Baker Stephen Baker Choukri Ben Mamoun Sangeeta Bhatia Quentin Bickle Lotfi Bounaadja Tana Bowling Jürgen Bosch Lauren E Boucher Fabrice F Boyom Jose Brea Marian Brennan Audrey Burton Conor R Caffrey Grazia Camarda Manuela Carrasquilla Dee Carter Maria Belen Cassera Ken Chih-Chien Cheng Worathad Chindaudomsate Anthony Chubb Beatrice L Colon Daisy D Colón-López Yolanda Corbett Gregory J Crowther Noemi Cowan Sarah D'Alessandro Na Le Dang Michael Delves Joseph L DeRisi Alan Y Du Sandra Duffy Shimaa Abd El-Salam El-Sayed Michael T Ferdig José A Fernández Robledo David A Fidock Isabelle Florent Patrick V T Fokou Ani Galstian Francisco Javier Gamo Suzanne Gokool Ben Gold Todd Golub Gregory M Goldgof Rajarshi Guha W Armand Guiguemde Nil Gural R Kiplin Guy Michael A E Hansen Kirsten K Hanson Andrew Hemphill Rob Hooft van Huijsduijnen Takaaki Horii Paul Horrocks Tyler B Hughes Christopher Huston Ikuo Igarashi Katrin Ingram-Sieber Maurice A Itoe Ajit Jadhav Amornrat Naranuntarat Jensen Laran T Jensen Rays H Y Jiang Annette Kaiser Jennifer Keiser Thomas Ketas Sebastien Kicka Sunyoung Kim Kiaran Kirk Vidya P Kumar Dennis E Kyle Maria Jose Lafuente Scott Landfear Nathan Lee Sukjun Lee Adele M Lehane Fengwu Li David Little Liqiong Liu Manuel Llinás Maria I Loza Aristea Lubar Leonardo Lucantoni Isabelle Lucet Louis Maes Dalu Mancama Nuha R Mansour Sandra March Sheena McGowan Iset Medina Vera Stephan Meister Luke Mercer Jordi Mestres Alvine N Mfopa Raj N Misra Seunghyun Moon John P Moore Francielly Morais Rodrigues da Costa Joachim Müller Arantza Muriana Stephen Nakazawa Hewitt Bakela Nare Carl Nathan Nathalie Narraidoo Sujeevi Nawaratna Kayode K Ojo Diana Ortiz Gordana Panic George Papadatos Silvia Parapini Kailash Patra Ngoc Pham Sarah Prats David M Plouffe Sally-Ann Poulsen Anupam Pradhan Celia Quevedo Ronald J Quinn Christopher A Rice Mohamed Abdo Rizk Andrea Ruecker Robert St Onge Rafaela Salgado Ferreira Jasmeet Samra Natalie G Robinett Ulrich Schlecht Marjorie Schmitt Filipe Silva Villela Francesco Silvestrini Robert Sinden Dennis A Smith Thierry Soldati Andreas Spitzmüller Serge Maximilian Stamm David J Sullivan William Sullivan Sundari Suresh Brian M Suzuki Yo Suzuki S Joshua Swamidass Donatella Taramelli Lauve R Y Tchokouaha Anjo Theron David Thomas Kathryn F Tonissen Simon Townson Abhai K Tripathi Valentin Trofimov Kenneth O Udenze Imran Ullah Cindy Vallieres Edgar Vigil Joseph M Vinetz Phat Voong Vinh Hoan Vu Nao-Aki Watanabe Kate Weatherby Pamela M White Andrew F Wilks Elizabeth A Winzeler Edward Wojcik Melanie Wree Wesley Wu Naoaki Yokoyama Paul H A Zollo Nada Abla Benjamin Blasco Jeremy Burrows Benoît Laleu Didier Leroy Thomas Spangenberg Timothy Wells Paul A Willis

PLoS Pathog 2016 07 28;12(7):e1005763. Epub 2016 Jul 28.

Medicines for Malaria Venture, Geneva, Switzerland.

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http://dx.doi.org/10.1371/journal.ppat.1005763DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4965013PMC
July 2016

Biochemical and Cellular Characterization and Inhibitor Discovery of Pseudomonas aeruginosa 15-Lipoxygenase.

Biochemistry 2016 06 3;55(23):3329-40. Epub 2016 Jun 3.

Department of Chemistry and Biochemistry, University of California , Santa Cruz, California 95064, United States.

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http://dx.doi.org/10.1021/acs.biochem.6b00338DOI Listing
June 2016

Fluorescence polarization assays in high-throughput screening and drug discovery: a review.

Methods Appl Fluoresc 2016 04 28;4(2):022001. Epub 2016 Apr 28.

National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA.

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http://dx.doi.org/10.1088/2050-6120/4/2/022001DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5563979PMC
April 2016

Microfluidic Mobility Shift Profiling of Lysine Acetyltransferases Enables Screening and Mechanistic Analysis of Cellular Acetylation Inhibitors.

ACS Chem Biol 2016 Mar 14;11(3):734-41. Epub 2015 Oct 14.

Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health , Frederick, Maryland 21702, United States.

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http://dx.doi.org/10.1021/acschembio.5b00709DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6320249PMC
March 2016

A potent and selective inhibitor targeting human and murine 12/15-LOX.

Bioorg Med Chem 2016 Mar 21;24(6):1183-90. Epub 2016 Jan 21.

Chemistry and Biochemistry Department, University of California, Santa Cruz, CA 95060, United States. Electronic address:

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http://dx.doi.org/10.1016/j.bmc.2016.01.042DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778748PMC
March 2016

Drug-based modulation of endogenous stem cells promotes functional remyelination in vivo.

Nature 2015 Jun 20;522(7555):216-20. Epub 2015 Apr 20.

1] Department of Genetics and Genome Sciences, Case Western Reserve University School of Medicine, Cleveland, Ohio 44106, USA [2] Department of Neurosciences, Case Western Reserve University School of Medicine, Cleveland, Ohio 44106, USA.

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http://dx.doi.org/10.1038/nature14335DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4528969PMC
June 2015

A high-throughput assay for small molecule destabilizers of the KRAS oncoprotein.

PLoS One 2014 5;9(8):e103836. Epub 2014 Aug 5.

Laboratory of Cancer Biology and Genetics, Center for Cancer Research, National Cancer Institute, Bethesda, Maryland, United States of America.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0103836PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4122376PMC
April 2015

Discovery of a novel general anesthetic chemotype using high-throughput screening.

Anesthesiology 2015 Feb;122(2):325-33

From the Department of Anesthesiology and Critical Care (A.R.M.-W., W.B., R.G.E.) and Department of Pharmacology (B.P.W.), University of Pennsylvania, Philadelphia, Pennsylvania; National Institutes of Health Chemical Genomics Center, National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, Maryland (G.R., W.A.L., A.S., A.J., D.J.M.); and College of Arts and Sciences, University of Pennsylvania, Philadelphia, Pennsylvania (D.F.L.).

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http://dx.doi.org/10.1097/ALN.0000000000000505DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4300529PMC
February 2015

Quantitative high throughput screening using a primary human three-dimensional organotypic culture predicts in vivo efficacy.

Nat Commun 2015 Feb 5;6:6220. Epub 2015 Feb 5.

Department of Obstetrics and Gynecology/Section of Gynecologic Oncology, University of Chicago, 5841 South Maryland Avenue, MC2050, Chicago, Illinois 60637, USA.

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http://www.nature.com/articles/ncomms7220
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http://dx.doi.org/10.1038/ncomms7220DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4427252PMC
February 2015

Suppression of the FOXM1 transcriptional programme via novel small molecule inhibition.

Nat Commun 2014 Nov 12;5:5165. Epub 2014 Nov 12.

1] University Chemical Laboratory, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK [2] Cancer Research UK, Li Ka Shing Centre, Cambridge Institute, Cambridge CB2 0RE, UK.

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http://dx.doi.org/10.1038/ncomms6165DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4258842PMC
November 2014

Genomic and protein expression analysis reveals flap endonuclease 1 (FEN1) as a key biomarker in breast and ovarian cancer.

Mol Oncol 2014 Oct 13;8(7):1326-38. Epub 2014 May 13.

Department of Oncology, Nottingham University Hospitals, Nottingham NG51PB, UK; Academic Unit of Oncology, Division of Cancer and Stem Cells, School of Medicine, University of Nottingham, Nottingham NG51PB, UK. Electronic address:

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http://dx.doi.org/10.1016/j.molonc.2014.04.009DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4690463PMC
October 2014

Covalent small molecule inhibitors of Ca(2+)-bound S100B.

Biochemistry 2014 Oct 14;53(42):6628-40. Epub 2014 Oct 14.

Center for Biomolecular Therapeutics (CBT), Department of Biochemistry and Molecular Biology, University of Maryland School of Medicine , Baltimore, Maryland 21201, United States.

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http://dx.doi.org/10.1021/bi5005552DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4211652PMC
October 2014

Inhibition of DNA glycosylases via small molecule purine analogs.

PLoS One 2013 9;8(12):e81667. Epub 2013 Dec 9.

Center for Research on Occupational and Environmental Toxicology, Oregon Health and Science University, Portland, Oregon, United States of America ; Department of Molecular and Medical Genetics, Oregon Health and Science University, Portland, Oregon, United States of America.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0081667PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3857224PMC
September 2014

Identification of novel PARP inhibitors using a cell-based TDP1 inhibitory assay in a quantitative high-throughput screening platform.

DNA Repair (Amst) 2014 Sep 29;21:177-82. Epub 2014 Apr 29.

Developmental Therapeutics Branch, Laboratory of Molecular Pharmacology, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Bethesda, MD 20892, United States. Electronic address:

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http://dx.doi.org/10.1016/j.dnarep.2014.03.006DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4125495PMC
September 2014

Biochemical assays for the discovery of TDP1 inhibitors.

Mol Cancer Ther 2014 Aug 14;13(8):2116-26. Epub 2014 Jul 14.

Developmental Therapeutics Branch and Laboratory of Molecular Pharmacology, Center for Cancer Research, National Cancer Institute;

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http://dx.doi.org/10.1158/1535-7163.MCT-13-0952DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4126877PMC
August 2014

Structural insight into exosite binding and discovery of novel exosite inhibitors of botulinum neurotoxin serotype A through in silico screening.

J Comput Aided Mol Des 2014 Jul 24;28(7):765-78. Epub 2014 Jun 24.

NIH Chemical Genomics Center, National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20850, USA,

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http://dx.doi.org/10.1007/s10822-014-9758-7DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4138512PMC
July 2014

Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies.

J Med Chem 2014 May 13;57(10):4035-48. Epub 2014 May 13.

Neuroprotection Research Laboratory, Department of Radiology, Massachusetts General Hospital, Harvard Medical School , Charlestown, Massachusetts 02129, United States.

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http://dx.doi.org/10.1021/jm401915rDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4033661PMC
May 2014

A fluorescence-based high throughput assay for the determination of small molecule-human serum albumin protein binding.

Anal Bioanal Chem 2014 Mar 5;406(7):1867-75. Epub 2014 Jan 5.

Department of Chemistry and Biochemistry, University of Wisconsin-Milwaukee, 3210 N. Cramer St, Milwaukee, WI, 53211, USA.

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http://dx.doi.org/10.1007/s00216-013-7560-3DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3959589PMC
March 2014

Disrupting malaria parasite AMA1-RON2 interaction with a small molecule prevents erythrocyte invasion.

Nat Commun 2013 ;4:2261

Laboratory of Malaria and Vector Research, Division of Intramural Research, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Bethesda, Maryland 20852, USA.

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http://dx.doi.org/10.1038/ncomms3261DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3755449PMC
February 2014

High-throughput combinatorial screening identifies drugs that cooperate with ibrutinib to kill activated B-cell-like diffuse large B-cell lymphoma cells.

Proc Natl Acad Sci U S A 2014 Feb 27;111(6):2349-54. Epub 2014 Jan 27.

Division of Preclinical Innovation, National Institutes of Health Chemical Genomics Center, National Center for Advancing Translational Sciences, Metabolism Branch, Center for Cancer Research, and Developmental Therapeutics Program, Division of Cancer Treatment and Diagnosis, National Cancer Institute, National Institutes of Health, Bethesda, MD 20892.

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http://dx.doi.org/10.1073/pnas.1311846111DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3926026PMC
February 2014

Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors.

Bioorg Med Chem Lett 2014 Jan 4;24(2):630-5. Epub 2013 Dec 4.

National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD 20850, United States. Electronic address:

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https://linkinghub.elsevier.com/retrieve/pii/S0960894X130137
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http://dx.doi.org/10.1016/j.bmcl.2013.11.081DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3970110PMC
January 2014

Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase.

Bioorg Med Chem Lett 2013 Oct 13;23(20):5660-6. Epub 2013 Aug 13.

National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD, 20892.

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http://dx.doi.org/10.1016/j.bmcl.2013.08.025DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3824626PMC
October 2013

Are hERG channel blockers also phospholipidosis inducers?

Bioorg Med Chem Lett 2013 Aug 20;23(16):4587-90. Epub 2013 Jun 20.

National Center for Advancing Translational Sciences, National Institutes of Health (NIH), 9800 Medical Center Drive, Bethesda, Rockville, MD 20892, USA.

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http://dx.doi.org/10.1016/j.bmcl.2013.06.034DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3736554PMC
August 2013

3-substituted indole inhibitors against Francisella tularensis FabI identified by structure-based virtual screening.

J Med Chem 2013 Jul 1;56(13):5275-87. Epub 2013 Jul 1.

Center of Bio/Molecular Science and Engineering, Naval Research Laboratories , Washington, D.C. 20375, United States.

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http://dx.doi.org/10.1021/jm4001242DOI Listing
July 2013