2023 Feb 27

Affinity-Selection Mass Spectrometry Screening of Macrocycles

Zane R. Thistleford, Srinivasa Karra, Kevin J. Lumb and Can C. Ozbal

SLAS 2023 Conference


2023 Feb 27

Rapid rank ordering of binding affinities of pools of test compounds against an RNA target by Affinity Selection Mass Spectrometry (ASMS)

Somayeh Talebzadeh, Zane Thistleford, Arrin Katz, Samuel Hasson and Can Ozbal

SLAS 2023 Conference


2023 Feb 27

Validation of an Automated Process for the Determination of Covalent Modifier Potency: Kinact/KI of the Btk/Ibrutinib Model System

William A. LaMarr, Somayeh Talebzadeh, Jim Breunig, Lars Hanson, and Brian Healey

SLAS 2023 Conference


2020 Jan 28

Identification and Characterization of Non-Covalent Small Molecule Binders of mRNA using Affinity Selection-Mass Spectrometry (ASMS)

Ian McKenna, William LaMarr, Arrin Katz and Can Ozbal

SLAS 2020 Conference


2019 Jan 30

RapidFire BLAZE-Mode Is Boosting ESI-MS Toward High-Throughput-Screening

Bretschneider, Ozbal, Holstein, Winter, Buettner, Thamm, Bischoff, Luippold

SLAS Technol

2472630318822449. doi: 10.1177/2472630318822449. [Epub ahead of print].


2018 Jul 31

Quantitative Screening Method for Erythromycin and Tylosin in Honey Using RapidFire Mass Spectrometry

Veach, Mudalige, Barnes, Baker


jaoacint.18-0107. [Epub ahead of print]


2018 Jun 25

The reactivity-driven biochemical mechanism of covalent KRASG12C inhibitors

Hansen, Peters, Babbar, Chen, Feng, Janes, Li, Ren, Liu, Zarrinkar

Nat Struct Mol Biol

s41594-018-0061-5. Epub 2018 May 14


2018 Mar 23

A Robust Multiplex Mass Spectrometric Assay for Screening Small-Molecule Inhibitors of CD73 with Diverse Inhibition Modalities – PubMed (

McManus, He, Gavigan, Marchand, Vougier, Bedel, Ferrari, Arrebola, Gillespy, Gregory, Licht, Cheng, Zhang, Deng.

SLAS Discov

10.1177/2472555217750386. Epub 2018 Jan 16.


2018 Jan 11

Assaying kinase activity of the TPL-2/NF-κB1 p105/ABIN-2 complex using an optimal peptide substrate

Kümper, Gantke, Chen, Soneji, Pattison, Chakravarty, Kjær, Thomas, Haslam, Leavens, House, Powell, Ley

Biochem J



2017 Nov 1

Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials

Yeh, Leissing, Abboud, Thinnes, Atasoylu, Holt-Martyn, Zhang, Tumber, Lippl, Lohans, Leung, Morcrette, Clifton, Claridge, Kawamura, Flashman, Lu, Ratcliffe, Chowdhury, Pugh, Schofield

Chem Sci

c7sc02103h. Epub 2017 Sep 11


2017 Sep 29

Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice

Vincent, Adura, Gao, Luz, Lama, Asano, Okamoto, Imaeda, Aida, Rothamel, Gogakos, Steinberg, Reasoner, Aso, Tuschl, Patel, Glickman, Ascano

Nat Commun



2017 Sep 9

Identification of AHCY inhibitors using novel high-throughput mass spectrometry

Uchiyama N, Dougan DR, Lawson JD, Kimura H, Matsumoto SI, Tanaka Y, Kawamoto T

Biochem Biophys Res Commun.


2017 Aug 18

Discovery and characterization of selective human sphingomyelin synthase 2 inhibitors

Adachi R, Ogawa K, Matsumoto SI, Satou T, Tanaka Y, Sakamoto J, Nakahata T, Okamoto R, Kamaura M, Kawamoto T

Eur J Med Chem



2017 Aug 1

Identification of cytidine-5-triphosphate synthase1-selective inhibitory peptide from random peptide library displayed on T7 phage

Sakamoto, Ishibashi, Adachi, Matsumoto, Oki, Kamada, Sogabe, Zama, Sakamoto, Tani


j.peptides.2017.06.007. Epub 2017 Jul 1


2017 Jul 14

Identification of Trypanosoma brucei AdoMetDC Inhibitors Using a High-Throughput Mass Spectrometry-Based Assay

Volkov OA, Cosner CC, et al

ACS Infect Dis.



2017 May 6

Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation – PubMed (

Yoneyama-Hirozane M, Matsumoto SI, Toyoda Y, Saikatendu KS, Zama Y, Yonemori K, Oonishi M, Ishii T, Kawamoto T.

Biochem Biophys Res Commun



2017 Apr 22

Novel LC/MS/MS and High-Throughput Mass Spectrometric Assays for Monoacylglycerol Acyltransferase Inhibitors

Qi J, Masucci JA, Lang W, Connelly MA, Caldwell GW, Petrounia I, Kirkpatrick J, Barnakov AN, Struble G, Miller R, Dzordzorine K, Kuo GH, Gaul M, Pocai A, Lee S

SLAS Discov



2017 Apr 22

Discovery of Human Intestinal MGAT Inhibitors Using High-Throughput Mass Spectrometry

Adachi R, Ishii T, Matsumoto S, Satou T, Sakamoto J, Kawamoto T

SLAS Discov



2017 Apr 22

Ultrafast and Predictive Mass Spectrometry-Based Autotaxin Assays for Label-Free Potency Screening

Bretschneider T, Luippold AH, Romig H, Bischoff D, Klinder K, Nicklin P, Rist W

SLAS Discov



2017 Mar 2

RapidFire Mass Spectrometry with Enhanced Throughput as an Alternative to Liquid-Liquid Salt Assisted Extraction and LC/MS Analysis for Sulfonamides in Honey

Veach BT, Mudalige TK, Rye P

Analytical Chemistry


2016 Dec 1

(2106) SPE-IMS-MS: An automated platform for sub-sixty second surveillance of endogenous metabolites and xenobiotics in biofluids

Xing Zhang, Michelle Romm, et al

Clinical Mass Spectrometry

pp 1-10


2016 Oct 25

Lead discovery for mammalian elongation of long chain fatty acids family 6 using a combination of high-throughput fluorescent-based assay and RapidFire mass spectrometry assay

Takamiya M, Sakurai M, Teranishi F, Ikeda T, Kamiyama T, Asai A

Biochemical and Biophysical Research Communications

pii: S0006-291X(16)31789-2. Epub ahead of print


2016 Oct 11

Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism

Dovala D, Rath CM, Hu Q, Sawyer WS, Shia S, Elling RA, Knapp MS, Metzger LE 4th

Proceedings of the National Academy of Sciences, USA (PNAS)

113(41):E6064-E6071. Epub 2016 Sep 28


2016 Aug 15

Development of a high-throughput mass spectrometry based analytical method to support an in vitro OATP1B1 inhibition screening assay

Wagner AD, Elkin L, Mosure K, Gallagher L, Stavola LK, Soars MG, Shou W

Rapid Communications in Mass Spectronomy



2016 Aug 3

Ultrafast Online SPE-MS/MS Method for Quantification of 3 Tyrosine Kinase Inhibitors in Human Plasma

Vrobel I, Janečková H, Faber E, Bouchalová K, Mičová K, Friedecký D, Adam T

Therapeutic Drug Monitoring



2016 Jul 21

Comparison of LC-MS/MS and a Fully Integrated Autosampler/Solid-Phase Extraction System for the Analysis of Protein Binding Samples

Amaral A, Saran C, Amin J, Hatsis P.A

J Biomolecular Screening

620-5. Epub 2016 Feb 22.


2016 Jun 1

Ultrafast Screening of Synthetic Cannabinoids and Synthetic Cathinones in Urine by RapidFire-Tandem Mass Spectrometry

Neifeld JR, Regester LE, Holler JM, Vorce SP, Magluilo J Jr, Ramos G, Bosy TZ

J Anal Toxicology



2016 May 15

Development of a RapidFire mass spectrometry assay and a fluorescence assay for the discovery of kynurenine aminotransferase II inhibitors to treat central nervous system disorders

Lu H, Kopcho L, Ghosh K, Witmer M, Parker M, Gupta S, Paul M, Krishnamurthy P, Laksmaiah B, Xie D, Tredup J, Zhang L, Abell LM

nal Biochemistry.

501:56-65.Epub 2016 Feb 11


2016 Apr 27

High-throughput online solid-phase extraction tandem mass spectrometry: Is it right for your clinical laboratory?

Jannetto PJ, Langman LJ

Clinical Biochem.

pii: S0009-9120(16)30043-1. [Epub ahead of print]


2016 Feb 21

High-Throughput Mass Spectrometric Analysis of Covalent Protein-Inhibitor Adducts for the Discovery of Irreversible Inhibitors: A Complete Workflow

Campuzano ID, San Miguel T, Rowe T, Onea D, Cee VJ, Arvedson T, McCarter JD

J Biomol Screening

136-44. Epub 2015 Dec 16


2016 Feb 21

A High-Throughput Screen to Identify LRRK2 Kinase Inhibitors for the Treatment of Parkinson’s Disease Using RapidFire Mass Spectrometry

Leveridge M, Collier L, Edge C, Hardwicke P, Leavens B, Ratcliffe S, Rees M, Stasi LP, Nadin A, Reith AD

J Biomol Screening

145-55. Epub 2015 Sep 24


2016 Feb 21

Direct Measurement of Intracellular Compound Concentration by RapidFire Mass Spectrometry Offers Insights into Cell Permeability

Gordon LJ, Allen M, Artursson P, Hann MM, Leavens BJ, Mateus A, Readshaw S, Valko K, Wayne GJ, West A

J Biomol Screen



2016 Feb 1

Targeting Bacterial Cell Wall Peptidoglycan Synthesis by Inhibition of Glycosyltransferase Activity

Mesleh MF, Rajaratnam P, Conrad M, Chandrasekaran V, Liu CM, Pandya BA, Hwang YS, Rye PT, Muldoon C, Becker B, Zuegg J, Meutermans W, Moy TI

Chemical Biology & Drug Design

10.1111/cbdd.12662. Epub 2015 Oct 9.


2016 Jan 1

High-Throughput Quantitation of Busulfan in Plasma Using Ultrafast Solid-Phase Extraction Tandem Mass Spectrometry (SPE-MS/MS)

Langman LJ, Danso D, Robert E, Jannetto PJ

Methods Molecular Biol


2015 May 14

Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA: Monoacylglycerol Acyltransferase-2 Inhibitors

Sato K, Takahagi H, Yoshikawa T, Morimoto S, Takai T, Hidaka K, Kamaura M, Kubo O, Adachi R, Ishii T, Maki T, Mochida T, Takekawa S, Nakakariya M, Amano N, Kitazaki T

Journal Medicinal Chem.

58(9):3892-909.Epub 2015 Apr 30.


2015 May 1

Rapid Analysis of Selected Benzodiazepines by Automated SPE–MS-MS

Hitchcock, Jennifer C., Enders, Jeffrey R., Morris, Ayodele A., McIntire, Gregory L

Chromatography Online

pg 8–15


2015 May 1

Comparison of a High-Throughput Mass Spectrometry Method and Radioactive Filter Binding to Assay the Protein Methyltransferase PRMT5

Maegley KA, Krivacic C, Bingham P, Liu W, Brooun A

Assay and Drug Development Technology.



2015 Jan 1

Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA:Monoacylglycerol Acyltransferase-2 Inhibitors

Kenjiro Sato et al

J. Med. Chem

58 (9), pp 3892–3909


2015 Jan 1

High-Throughput Validated Method for the Quantitation of Busulfan in Plasma Using Ultrafast SPE-MS/MS – PubMed (

Danso D, Jannetto PJ, Enger R, Langman LJ

Therapeutic Drug Monitoring

37(3): 319-24


2015 Jan 1

Screening of HIV-1 Protease Using a Combination of an Ultra-High-Throughput Fluorescent-Based Assay and RapidFire Mass Spectrometry

Meng J, Lai MT, Munshi V, Grobler J, McCauley J, Zuck P, Johnson EN, Uebele VN, Hermes JD, Adam GC

Journal of Biomolecular Screening

20(5): 606-15


2015 Jan 1

Use of high-throughput mass spectrometry to reduce false positives in protease uHTS screens – PubMed (

Adam GC, Meng J, Rizzo JM, Amoss A, Lusen JW, Patel A, Riley D, Hunt R, Zuck P, Johnson EN, Uebele VN, Hermes JD

Journal of Biomolecular Screening

20(2): 212-22


2015 Jan 1

Performance of the New RapidFire System for Therapeutic Monitoring of Immunosuppressants – PubMed (

Grote-Koska D, Czajkowski S, Brand K

Therapeutic Drug Monitoring,

37(3): 400-4


2015 Jan 1

High-throughput method for the quantification of lacosamide in serum using ultrafast SPE-MS/MS – PubMed (

Korman E, Langman LJ, Jannetto PJ

Therapeutic Drug Monitoring

37(1): 126-31


2014 Jan 1

Novel heparan sulfate assay by using automated high-throughput mass spectrometry: Application to monitoring and screening for mucopolysaccharidoses – PubMed (

Shimada T, Kelly J, LaMarr WA, van Vlies N, Yasuda E, Mason RW, Mackenzie W, Kubaski F, Giugliani R, Chinen Y, Yamaguchi S, Suzuki Y, Orii KE, Fukao T, Orii T, Tomatsu S

Molecular Genetics and Metabolism

113(1-2): 92-9


2014 Jan 1

Establishment of glycosaminoglycan assays for mucopolysaccharidoses

Tomatsu S, Shimada T, Mason RW, Montaño AM, Kelly J, LaMarr WA, Kubaski F, Giugliani R, Guha A, Yasuda E, Mackenzie W, Yamaguchi S, Suzuki Y, Orii T


4(3): 655-79


2014 Jan 1

Identification and Characterization of Small-Molecule Inhibitors of the R132H/R132H Mutant Isocitrate Dehydrogenase 1 Homodimer and R132H/Wild-Type Heterodimer – PubMed (

Brooks E, Wu X, Hanel A, Nguyen S, Wang J, Zhang JH, Harrison A, Zhang W

Journal of Biomolecular Screening

19(8): 1193-1200


2014 Jan 1

Lead discovery for human kynurenine 3-monooxygenase by high-throughput RapidFire mass spectrometry – PubMed (

Lowe DM, Gee M, Haslam C, Leavens B, Christodoulou E, Hissey P, Hardwicke P, Argyrou A, Webster SP, Mole DJ, Wilson K, Binnie M, Yard BA, Dean T, Liddle J, Uings I, Hutchinson JP

Journal of Biomolecular Screening

19(4): 508-15


2014 Jan 1

Assay for Glycosaminoglycans by Tandem Mass Spectrometry and its Applications – PubMed (

Tomatsu S, Shimada T, Mason RW, Kelly J, LaMarr WA, Yasuda E, Shibata Y, Futatsumori H, Montaño AM, Yamaguchi S, Suzuki Y, Orii T

Journal of Analytical & Bioanalytical Techniques,

Suppl 2: 6


2013 Jul 2

Mutant IDH1 enhances the production of 2-hydroxyglutarate due to its kinetic mechanism.

Rendina AR, Pietrak B, Smallwood A, Zhao H, Qi H, Quinn C, Adams ND, Concha N, Duraiswami C, Thrall SH, Sweitzer S, Schwartz B.


52(26):4563-77. Epub 2013 Jun 21.


2012 May 4

SPE-MS analysis of absorption, distribution, metabolism and excretion assays: a tool to increase throughput and steamline workflow.

Miller VP,




2011 Aug 15

Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors

Zhang X, Song F, Kuo GH, Xiang A, Gibbs AC, Abad MC, Sun W, Kuo LC, Sui Z.

Bioorg Med Chem Lett.



2011 Mar 16

Application of a rapid and integrated analysis system (RIAS) as a high-throughput processing tool for in vitro ADME samples by liquid chromatography/tandem mass spectrometry

Luippold AH1, Arnhold T, Jörg W, Krüger B, Süssmuth RD.

J Biomol Screen.

(3):370-7. Epub 2011 Feb 18.


2010 Nov 25

Electron Density Guided Fragment-Based Lead Discovery of Ketohexokinase Inhibitors | Journal of Medicinal Chemistry (

Gibbs AC, Abad MC, Zhang X, Tounge BA, Lewandowski FA, Struble GT, Sun W, Sui Z, Kuo LC.

J Med Chem.



2010 Apr 30

High-throughput analysis of in vitro cytochrome p450 inhibition samples using mass spectrometry coupled with an integrated liquid chromatography/autosampler system – PubMed (

Brown A, Bickford S, Hatsis P, Amin J, Bell L, Harriman S.

Rapid Commununications in Mass Spectronomy



Demonstrating enhanced throughput of RapidFire mass spectrometry through multiplexing using the JmjD2d demethylase as a model system – PubMed (

Leveridge M, Buxton R, Argyrou A, Francis P, Leavens B, West A, Rees M, Hardwicke P, Bridges A, Ratcliffe S, Chung CW

Journal of Biomolecular Screening

19(2): 278-86


Label-free high-throughput assays to screen and characterize novel lactate dehydrogenase inhibitors – PubMed (

Vanderporten E, Frick L, Turincio R, Thana P, Lamarr W, Liu Y

Analytical Biochemistry

441(2): 115-22,positives%20from%20a%20small%20molecule%20compound%20library%20screen.


High-throughput SISCAPA quantitation of peptides from human plasma digests by ultrafast, liquid chromatography-free mass spectrometry – PubMed (

Razavi M, Frick LE, LaMarr WA, Pope ME, Miller CA, Anderson NL, Pearson TW

Journal of Proteome Research

11(12): 5642-9


In vitro ADME profiling using high-throughput rapidfire mass spectrometry: cytochrome p450 inhibition and metabolic stability assays

Wu X, Wang J, Tan L, Bui J, Gjerstad E, McMillan K, Zhang W

Journal of Biomolecular Screening

17(6): 761-72


Lead discovery for microsomal prostaglandin E synthase using a combination of high-throughput fluorescent-based assays and RapidFire mass spectrometry – PubMed (

Hutchinson SE, Leveridge MV, Heathcote ML, Francis P, Williams L, Gee M, Munoz-Muriedas J, Leavens B, Shillings A, Jones E, Homes P, Baddeley S, Chung CW, Bridges A, Argyrou A

Journal of Biomolecular Screening

17(1): 39-48


Expanding the Scope of HTMS Methods, Label-Free Technologies For Drug Discovery

Holt, Wang, Chen, Choi, Geoghagen, Jensen, Jonas, Luo, LaMarr, Malkowitz, Ozbal, Xiong, Dufresne, Luo.

Publisher: John Wiley & Sons, Inc


Advances in label-free screening approaches for studying sirtuin-mediated deacetylation – PubMed (

Rye PT, Frick LE, Ozbal CC, Lamarr WA

Journal of Biomolecular Screening

16(10): 1217-26


Advances in label-free screening approaches for studying histone acetyltransferases – PubMed (

Rye PT, Frick LE, Ozbal CC, Lamarr WA

Journal of Biomolecular Screening

16(10): 1186-95


An integrated platform for fully automated high-throughput LC–MS/MS analysis of in vitro metabolic stability assay samples

Luippold AH1, Arnhold T, Jörg W, Krüger B, Süssmuth RD.

International Journal of Mass Spectrometry

epub 17 July 2010


Screening for lysine-specific demethylase-1 inhibitors using a label-free high-throughput mass spectrometry assay – PubMed (

Plant M, Dineen T, Cheng A, Long AM, Chen H, Morgenstern KA

Analytical Biochemistry

419(2): 217-27


Evaluation of a high-throughput online solid phase extraction-tandem mass spectrometry system for in vivo bioanalytical studies – PubMed (

Jian W, Romm MV, Edom RW, Miller VP, LaMarr WA, Weng N

Analytical Chemistry

83(21): 8259-66


Ultrafast mass spectrometry based bioanalytical method for digoxin supporting an in vitro P-glycoprotein (P-gp) inhibition screen – PubMed (

Wagner AD, Kolb JM, Ozbal CC, Herbst JJ, Olah TV, Weller HN, Zvyaga TA, Shou WZ

Rapid Communications in Mass Spectrometry

25(9): 1231-40


N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors – PubMed (

Atkinson KA, Beretta EE, Brown JA, Castrodad M, Chen Y, Cosgrove JM, Du P, Litchfield J, Makowski M, Martin K, McLellan TJ, Neagu C, Perry DA, Piotrowski DW, Steppan CM, Trilles R

Bioorganic & Medicinal Chemistry Letters

21(6): 1621-5


High-throughput screening assay for sphingosine kinase inhibitors in whole blood using RapidFire® mass spectrometry – PubMed (

Highkin MK, Yates MP, Nemirovskiy OV, Lamarr WA, Munie GE, Rains JW, Masferrer JL, Nagiec MM

Journal of Biomolecular Screening

16(2): 272-7


Development of a high-throughput online solid-phase extraction/tandem mass spectrometry method for cytochrome P450 inhibition screening – PubMed (

Lim KB, Ozbal CC, Kassel DB

Journal of Biomolecular Screening

15(4): 447-52


Screening for Antibacterial Inhibitors of the UDP-3-O-(R-3-Hydroxymyristoyl)-N-Acetylglucosamine Deacetylase (LpxC) Using a High-Throughput Mass Spectrometry Assay – SLAS Discovery (

Langsdorf EF, Malikzay A, Lamarr WA, Daubaras D, Kravec C, Zhang R, Hart R, Monsma F, Black T, Ozbal CC, Miesel L, Lunn CA

Journal of Biomolecular Screening

15(1): 52-61


Label-free high-throughput screening via mass spectrometry: a single cystathionine quantitative method for multiple applications. – Abstract – Europe PMC

Holt TG, Choi BK, Geoghagen NS, Jensen KK, Luo Q, LaMarr WA, Makara GM, Malkowitz L, Ozbal CC, Xiong Y, Dufresne C, Luo MJ

Assay and Drug Development Technologies

7(5): 495-506


Mass spectrometry in high-throughput screening: a case study on acetyl-coenzyme a carboxylase using RapidFire–mass spectrometry (RF-MS) – PubMed (

Jonas M, LaMarr WA, Ozbal C

Combinatorial Chemistry & High Throughput Screening

12(8): 752-9


Development of a high-throughput screening assay for stearoyl-CoA desaturase using rat liver microsomes, deuterium labeled stearoyl-CoA and mass spectrometry – PubMed (

Soulard P, McLaughlin M, Stevens J, Connolly B, Coli R, Wang L, Moore J, Kuo MS, LaMarr WA, Ozbal CC, Bhat BG

Analytica Chimica Acta

627(1): 105-11


Back to basics: label-free technologies for small molecule screening

Shiau AK, Massari ME, Ozbal CC

Combinatorial Chemistry & High Throughput Screening

11(3): 231-7


High-throughput screening by mass spectrometry: comparison with the scintillation proximity assay with a focused-file screen of AKT1/PKB alpha – PubMed (

Quercia AK, LaMarr WA, Myung J, Ozbal CC, Landro JA, Lumb KJ

Journal of Biomolecular Screening

12(4): 473-80


High-throughput mass spectrometry screening for inhibitors of phosphatidylserine decarboxylase – PubMed (

Forbes CD, Toth JG, Ozbal CC, Lamarr WA, Pendleton JA, Rocks S, Gedrich RW, Osterman DG, Landro JA, Lumb KJ

Journal of Biomolecular Screening

12(5): 628-34


High throughput screening via mass spectrometry: a case study using acetylcholinesterase – PubMed (

Ozbal CC, LaMarr WA, Linton JR, Green DF, Katz A, Morrison TB, Brenan CJ

Assay and Drug Development Technologies

2(4): 373-81