Publications by authors named "Anton Simeonov"

99Publications

An Enzymatic TMPRSS2 Assay for Assessment of Clinical Candidates and Discovery of Inhibitors as Potential Treatment of COVID-19.

ACS Pharmacol Transl Sci 2020 Oct 7;3(5):997-1007. Epub 2020 Sep 7.

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

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http://dx.doi.org/10.1021/acsptsci.0c00106DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7507803PMC
October 2020

Fruitful Neutralizing Antibody Pipeline Brings Hope To Defeat SARS-Cov-2.

Trends Pharmacol Sci 2020 11 31;41(11):815-829. Epub 2020 Jul 31.

National Center for Advancing Translational Sciences, National Institutes of Health (NIH), Rockville, MD 20850, USA. Electronic address:

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http://dx.doi.org/10.1016/j.tips.2020.07.004DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7572790PMC
November 2020

SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.

J Chem Inf Model 2020 Aug 2;60(8):4056-4063. Epub 2020 Aug 2.

Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.

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http://dx.doi.org/10.1021/acs.jcim.0c00415DOI Listing
August 2020

Optimization of High-Throughput Methyltransferase Assays for the Discovery of Small Molecule Inhibitors.

ACS Comb Sci 2020 08 27;22(8):422-432. Epub 2020 Jun 27.

Department of Medicinal Chemistry and Molecular Pharmacology, Center for Cancer Research, Institute for Drug Discovery, Purdue University, West Lafayette, Indiana 47907, United States.

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http://dx.doi.org/10.1021/acscombsci.0c00077DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7429283PMC
August 2020

Remdesivir: A Review of Its Discovery and Development Leading to Emergency Use Authorization for Treatment of COVID-19.

ACS Cent Sci 2020 May 4;6(5):672-683. Epub 2020 May 4.

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

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http://dx.doi.org/10.1021/acscentsci.0c00489DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7202249PMC
May 2020

Keeping It Clean: The Cell Culture Quality Control Experience at the National Center for Advancing Translational Sciences.

SLAS Discov 2020 06 1;25(5):491-497. Epub 2020 Apr 1.

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

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http://dx.doi.org/10.1177/2472555220911451DOI Listing
June 2020

Design, Synthesis, and Biological Evaluation of Quinazolin-4-one-Based Hydroxamic Acids as Dual PI3K/HDAC Inhibitors.

J Med Chem 2020 04 8;63(8):4256-4292. Epub 2020 Apr 8.

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/acs.jmedchem.0c00193DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7238858PMC
April 2020

Two-Dimensional Cellular and Three-Dimensional Bio-Printed Skin Models to Screen Topical-Use Compounds for Irritation Potential.

Front Bioeng Biotechnol 2020 21;8:109. Epub 2020 Feb 21.

Division of Pre-Clinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, United States.

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http://dx.doi.org/10.3389/fbioe.2020.00109DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7046801PMC
February 2020

Stem Cell-Derived Endothelial Cell Model that Responds to Tobacco Smoke Like Primary Endothelial Cells.

Chem Res Toxicol 2020 Mar 2;33(3):751-763. Epub 2020 Mar 2.

National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, Bethesda, Maryland 20892, United States.

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http://dx.doi.org/10.1021/acs.chemrestox.9b00363DOI Listing
March 2020

Predictive Models for Human Organ Toxicity Based on Bioactivity Data and Chemical Structure.

Chem Res Toxicol 2020 Mar 3;33(3):731-741. Epub 2020 Mar 3.

Division of Pre-clinical Innovation, National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH), Rockville, Maryland 20850, United States.

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http://dx.doi.org/10.1021/acs.chemrestox.9b00305DOI Listing
March 2020

Compound screening in cell-based models of tau inclusion formation: Comparison of primary neuron and HEK293 cell assays.

J Biol Chem 2020 Mar 7;295(12):4001-4013. Epub 2020 Feb 7.

Center for Neurodegenerative Disease Research, Perelman School of Medicine, University of Pennsylvania, Philadelphia, Pennsylvania 19104

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http://dx.doi.org/10.1074/jbc.RA119.010532DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7086036PMC
March 2020

Applications of Differential Scanning Fluorometry and Related Technologies in Characterization of Protein-Ligand Interactions.

Methods Mol Biol 2020 ;2089:47-68

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

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http://dx.doi.org/10.1007/978-1-0716-0163-1_4DOI Listing
January 2020

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

SLAS Discov 2020 03 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

The NCATS Pharmaceutical Collection: a 10-year update.

Drug Discov Today 2019 12 1;24(12):2341-2349. Epub 2019 Oct 1.

Division of Pre-clinical Innovation, National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH), Rockville, MD 20850, USA.

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http://dx.doi.org/10.1016/j.drudis.2019.09.019DOI Listing
December 2019

Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models.

J Chem Inf Model 2019 11 25;59(11):4613-4624. Epub 2019 Oct 25.

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

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http://dx.doi.org/10.1021/acs.jcim.9b00526DOI Listing
November 2019

High-Throughput Cellular Thermal Shift Assays in Research and Drug Discovery.

SLAS Discov 2020 02 30;25(2):137-147. Epub 2019 Sep 30.

Screening, Profiling, and Mechanistic Biology, GlaxoSmithKline, Collegeville, PA, USA.

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http://dx.doi.org/10.1177/2472555219877183DOI Listing
February 2020

Chemically Defined Neural Conversion of Human Pluripotent Stem Cells.

Methods Mol Biol 2019 ;1919:59-72

Stem Cell Translation Laboratory (SCTL), Division of Pre-Clinical Innovation, NIH National Center for Advancing Translational Sciences (NCATS), NIH Regenerative Medicine Program, Rockville, MD, USA.

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http://dx.doi.org/10.1007/978-1-4939-9007-8_5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6908303PMC
June 2019

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

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

Testing for drug-human serum albumin binding using fluorescent probes and other methods.

Expert Opin Drug Discov 2018 11 15;13(11):1005-1014. Epub 2018 Oct 15.

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

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http://dx.doi.org/10.1080/17460441.2018.1534824DOI Listing
November 2018

Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors.

Bioorg Med Chem 2018 05 27;26(8):1727-1739. Epub 2018 Feb 27.

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/10.1016/j.bmc.2018.02.016DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5891386PMC
May 2018

The US Federal Tox21 Program: A strategic and operational plan for continued leadership.

ALTEX 2018 8;35(2):163-168. Epub 2018 Mar 8.

National Center for Toxicological Research, Food and Drug Administration, Silver Spring, MD, USA.

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http://dx.doi.org/10.14573/altex.1803011DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6664816PMC
October 2018

Expanding biological space coverage enhances the prediction of drug adverse effects in human using in vitro activity profiles.

Sci Rep 2018 02 28;8(1):3783. Epub 2018 Feb 28.

Division of Pre-clinical Innovation, National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH), Rockville, MD, 20850, USA.

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http://dx.doi.org/10.1038/s41598-018-22046-wDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5830476PMC
February 2018

The Toxmatrix: Chemo-Genomic Profiling Identifies Interactions That Reveal Mechanisms of Toxicity.

Chem Res Toxicol 2018 02 4;31(2):127-136. Epub 2017 Dec 4.

National Center for Advancing Translational Sciences (NCATS), National Institutes of Health , 9800 Medical Center Drive, Bethesda, Maryland 20892, United States.

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http://dx.doi.org/10.1021/acs.chemrestox.7b00290DOI Listing
February 2018

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

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

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

Drug discovery and development for rare genetic disorders.

Am J Med Genet A 2017 Sep 21;173(9):2307-2322. Epub 2017 Jul 21.

National Center for Advancing Translational Sciences, National Institutes of Health, Medical Center Drive, Bethesda, Maryland.

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http://dx.doi.org/10.1002/ajmg.a.38326DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5662129PMC
September 2017

Drug repurposing screens and synergistic drug-combinations for infectious diseases.

Br J Pharmacol 2018 01 9;175(2):181-191. Epub 2017 Jul 9.

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

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http://dx.doi.org/10.1111/bph.13895DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5758396PMC
January 2018

Comment on "On the Utility of ToxCast™ and ToxPi as Methods for Identifying New Obesogens".

Environ Health Perspect 2017 01;125(1):A8-A11

National Center for Computational Toxicology, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina, USA.

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http://dx.doi.org/10.1289/EHP881DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5226707PMC
January 2017

Translating Stem Cell Biology Into Drug Discovery.

Drug Target Rev 2016 16;3(2):34-38. Epub 2016 Jun 16.

National Institutes of Health (NIH). National Center for Advancing Translational Sciences (NCATS). Division of Pre-Clinical Innovation (DPI).

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5073788PMC
June 2016

An Automated High-Throughput Metabolic Stability Assay Using an Integrated High-Resolution Accurate Mass Method and Automated Data Analysis Software.

Drug Metab Dispos 2016 10 14;44(10):1653-61. Epub 2016 Jul 14.

Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville Maryland (P.S, E.K, D-T.N, A Q.W, A.Z, J.M, A.S, X.X.); Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer. Groton, Connecticut (R.S.O.); and Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., South San Francisco, California (C.E.C.A.H)

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5034701PMC
http://dx.doi.org/10.1124/dmd.116.072017DOI Listing
October 2016

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

A Platform to Enable the Pharmacological Profiling of Small Molecules in Gel-Based Electrophoretic Mobility Shift Assays.

J Biomol Screen 2016 Dec 10;21(10):1125-1131. Epub 2016 Jul 10.

1 Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA.

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http://dx.doi.org/10.1177/1087057116652895DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5269537PMC
December 2016

In vitro evaluation of imidazo[4,5-c]quinolin-2-ones as gametocytocidal antimalarial agents.

Bioorg Med Chem Lett 2016 06 19;26(12):2907-2911. Epub 2016 Apr 19.

National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD 20892, United States. Electronic address:

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http://dx.doi.org/10.1016/j.bmcl.2016.04.045DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887403PMC
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

Diaphorase Coupling Protocols for Red-Shifting Dehydrogenase Assays.

Assay Drug Dev Technol 2016 Apr;14(3):207-12

NCATS Chemical Genomics Center, National Center for Advancing Translational Sciences, National Institutes of Health , Rockville, Maryland.

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http://dx.doi.org/10.1089/adt.2016.706DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4840998PMC
April 2016

Avoiding Fluorescence Assay Interference-The Case for Diaphorase.

Assay Drug Dev Technol 2016 Apr;14(3):175-9

NCATS Chemical Genomics Center, National Center for Advancing Translational Sciences, National Institutes of Health , Rockville, Maryland.

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http://dx.doi.org/10.1089/adt.2016.707DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4840916PMC
April 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