Publications

Ong HW, Liang Y, Richardson W, Lowry ER, Wells CI, Chen X, Silvestre M, Dempster K, Silvaroli JA, Smith JL, Wichterle H, Pabla NS, Ultanir SK, Bullock AN, Drewry DH, Axtman AD

ACS Chem Neurosci. doi: 10.1021/acschemneuro.3c00135

Publication date: April 21, 2023

PMID: 37084253

Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.

Liu K, Zhang J, Xiao Y, Yang A, Song X, Li Y, Chen Y, Hughes TR, Min J

J Biol Chem. 104734. doi: 10.1016/j.jbc.2023.104734

Publication date: April 20, 2023

PMID: 37086783

Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.

Bashore FM, Marquez AB, Chaikuad A, Howell S, Dunn AS, Beltran AA, Smith JL, Drewry DH, Beltran AS, Axtman AD

Sci Rep. 13(1):6118. doi: 10.1038/s41598-023-32854-4

Publication date: April 14, 2023

PMID: 37059819

Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.

Davis-Gilbert ZW, KrÃ¤mer A, Dunford JE, Howell S, Senbabaoglu F, Wells CI, Bashore FM, Havener TM, Smith JL, Hossain MA, Oppermann U, Drewry DH, Axtman AD

ACS Med Chem Lett. 14(4):432-441. doi: 10.1021/acsmedchemlett.2c00530

Publication date: April 13, 2023

PMID: 37077385

A host defense peptide mimetic, brilacidin, potentiates caspofungin antifungal activity against human pathogenic fungi.

Dos Reis TF, de Castro PA, Bastos RW, Pinzan CF, Souza PFN, Ackloo S, Hossain MA, Drewry DH, Alkhazraji S, Ibrahim AS, Jo H, Lightfoot JD, Adams EM, Fuller KK, deGrado WF, Goldman GH

Nat Commun. 14(1):2052. doi: 10.1038/s41467-023-37573-y

Publication date: April 12, 2023

PMID: 37045836

Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.

Rak M, Tesch R, Berger LM, Shevchenko E, Raab M, Tjaden A, Zhubi R, Balourdas DI, Joerger AC, Poso A, KrÃ¤mer A, Elson L, LuÄiÄ‡ A, Kronenberger T, Hanke T, Strebhardt K, Sanhaji M, Knapp S

Eur J Med Chem. 254:115347. doi: 10.1016/j.ejmech.2023.115347

Publication date: April 7, 2023

PMID: 37094449

Discovery of a Potent and Selective Targeted NSD2 Degrader for the Reduction of H3K36me2.

Hanley RP, Nie DY, Tabor JR, Li F, Sobh A, Xu C, Barker NK, Dilworth D, Hajian T, Gibson E, Szewczyk MM, Brown PJ, Barsyte-Lovejoy D, Herring LE, Wang GG, Licht JD, Vedadi M, Arrowsmith CH, James LI

J Am Chem Soc. doi: 10.1021/jacs.3c01421

Publication date: March 28, 2023

PMID: 36976643

Development of Cell Permeable NanoBRET Probes for the Measurement of PLK1 Target Engagement in Live Cells.

Yang X, Smith JL, Beck MT, Wilkinson JM, Michaud A, Vasta JD, Robers MB, Willson TM

Molecules. 28(7):. doi: 10.3390/molecules28072950

Publication date: March 25, 2023

PMID: 37049713

Discovery of Nanomolar DCAF1 Small Molecule Ligands.

Li ASM, Kimani S, Wilson B, Noureldin M, González-Álvarez H, Mamai A, Hoffer L, Guilinger JP, Zhang Y, von Rechenberg M, Disch JS, Mulhern CJ, Slakman BL, Cuozzo JW, Dong A, Poda G, Mohammed M, Saraon P, Mittal M, Modh P, Rathod V, Patel B, Ackloo S, Santhakumar V, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Marcellus R, Guié MA, Keefe AD, Brown PJ, Halabelian L, Al-Awar R, Vedadi M

J Med Chem. doi: 10.1021/acs.jmedchem.2c02132

Publication date: March 22, 2023

PMID: 36948210

Deep Annotation of Donated Chemical Probes (DCP) in Organotypic Human Liver Cultures and Patient-Derived Organoids from Tumor and Normal Colorectum.

Tredup C, Ndreshkjana B, Schneider NS, Tjaden A, Kemas AM, Youhanna S, Lauschke VM, Berger BT, Krämer A, Berger LM, Röhm S, Knapp S, Farin HF, Müller S

ACS Chem Biol. doi: 10.1021/acschembio.2c00877

Publication date: March 21, 2023

PMID: 36944371

Reference compounds for characterizing cellular injury in high-content cellular morphology assays.

Dahlin JL, Hua BK, Zucconi BE, Nelson SD, Singh S, Carpenter AE, Shrimp JH, Lima-Fernandes E, Wawer MJ, Chung LPW, Agrawal A, O'Reilly M, Barsyte-Lovejoy D, Szewczyk M, Li F, Lak P, Cuellar M, Cole PA, Meier JL, Thomas T, Baell JB, Brown PJ, Walters MA, Clemons PA, Schreiber SL, Wagner BK

Nat Commun. 14(1):1364. doi: 10.1038/s41467-023-36829-x

Publication date: March 13, 2023

PMID: 36914634

Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators.

Tang S, Garzon Sanz M, Smith O, Krämer A, Egbase D, Caton PW, Knapp S, Butterworth S

Acta Pharm Sin B. 13(2):709-721. doi: 10.1016/j.apsb.2022.07.016

Publication date: March 7, 2023

PMID: 36873168

Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3α (GSK-3α): Development and impact on temozolomide treatment of glioblastoma cells.

Hasyeoui M, Lassagne F, Erb W, Nael M, Elokely KM, Chaikuad A, Knapp S, Jorda A, Vallés SL, Quissac E, Verreault M, Robert T, Bach S, Samarat A, Mongin F

Bioorg Chem. 134:106456. doi: 10.1016/j.bioorg.2023.106456

Publication date: March 4, 2023

PMID: 36913879

RAS and PP2A activities converge on epigenetic gene regulation.

Aakula A, Sharma M, Tabaro F, Nätkin R, Kamila J, Honkanen H, Schapira M, Arrowsmith C, Nykter M, Westermarck J

Life Sci Alliance. 6(5):. doi: 10.26508/lsa.202301928

Publication date: March 2, 2023

PMID: 36858798

Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.

Arora R, Linders JTM, Aci-Sèche S, Verheyen T, Van Heerde E, Brehmer D, Chaikuad A, Knapp S, Bonnet P

Eur J Med Chem. 250:115231. doi: 10.1016/j.ejmech.2023.115231

Publication date: February 25, 2023

PMID: 36878151

Histone H4K20 monomethylation enables recombinant nucleosome methylation by PRMT1 in vitro.

Li ASM, Homsi C, Bonneil E, Thibault P, Verreault A, Vedadi M

Biochim Biophys Acta Gene Regul Mech. 194922. doi: 10.1016/j.bbagrm.2023.194922

Publication date: February 21, 2023

PMID: 36822575

Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin-Specific Protease USP21.

Göricke F, Vu V, Smith L, Scheib U, Böhm R, Akkilic N, Wohlfahrt G, Weiske J, Bömer U, Brzezinka K, Lindner N, Lienau P, Gradl S, Beck H, Brown PJ, Santhakumar V, Vedadi M, Barsyte-Lovejoy D, Arrowsmith CH, Schmees N, Petersen K

J Med Chem. doi: 10.1021/acs.jmedchem.2c01933

Publication date: February 20, 2023

PMID: 36802665

Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors.

Schuller M, Zarganes-Tzitzikas T, Bennett J, De Cesco S, Fearon D, von Delft F, Fedorov O, Brennan PE, Ahel I

Pathogens. 12(2):. doi: 10.3390/pathogens12020324

Publication date: February 15, 2023

PMID: 36839595

Toward effective Atg8-based ATTECs: Approaches and perspectives.

Schwalm MP, Knapp S, Rogov VV

J Cell Biochem. doi: 10.1002/jcb.30380

Publication date: February 13, 2023

PMID: 36780422

SS148 and WZ16 inhibit the activities of nsp10-nsp16 complexes from all seven human pathogenic coronaviruses.

Li F, Ghiabi P, Hajian T, Klima M, Li ASM, Yazdi AK, Chau I, Loppnau P, Kutera M, Seitova A, Bolotokova A, Hutchinson A, Perveen S, Boura E, Vedadi M

Biochim Biophys Acta Gen Subj. 130319. doi: 10.1016/j.bbagen.2023.130319

Publication date: February 8, 2023

PMID: 36764586

Antecedent chromatin organization determines cGAS recruitment to ruptured micronuclei.

MacDonald KM, Nicholson-Puthenveedu S, Tageldein MM, Khasnis S, Arrowsmith CH, Harding SM

Nat Commun. 14(1):556. doi: 10.1038/s41467-023-36195-8

Publication date: February 2, 2023

PMID: 36732527

Epigenetic modulation by targeting bromodomain containing protein 9 (BRD9): Its therapeutic potential and selective inhibition.

Ali MM, Naz S, Ashraf S, Knapp S, Ul-Haq Z

Int J Biol Macromol. 123428. doi: 10.1016/j.ijbiomac.2023.123428

Publication date: January 26, 2023

PMID: 36709803

Studying Protein Arginine Methylation: Approaches and Methods.

Barsyte-Lovejoy D

J Vis Exp. doi: 10.3791/64821

Publication date: January 20, 2023

PMID: 37602846

Detection of antibodies against the huntingtin protein in human plasma.

Denis HL, Alpaugh M, Alvarez CP, Fenyi A, Barker RA, Chouinard S, Arrowsmith CH, Melki R, Labib R, Harding RJ, Cicchetti F

Cell Mol Life Sci. 80(2):45. doi: 10.1007/s00018-023-04687-x

Publication date: January 18, 2023

PMID: 36651994

Death by a Thousand Cuts â€" Combining Kinase Inhibitors for Selective Target Inhibition and Rational Polypharmacology.

Outhwaite IR, Singh S, Berger BT, Knapp S, Chodera JD, Seeliger MA

bioRxiv. doi: 10.1101/2023.01.13.523972

Publication date: January 16, 2023

PMID: 36711619

SGC-CAMKK2-1: A Chemical Probe for CAMKK2.

Wells C, Liang Y, Pulliam TL, Lin C, Awad D, Eduful B, O'Byrne S, Hossain MA, Catta-Preta CMC, Ramos PZ, Gileadi O, Gileadi C, Couñago RM, Stork B, Langendorf CG, Nay K, Oakhill JS, Mukherjee D, Racioppi L, Means AR, York B, McDonnell DP, Scott JW, Frigo DE, Drewry DH

Cells. 12(2):. doi: 10.3390/cells12020287

Publication date: January 11, 2023

PMID: 36672221

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.

Gahbauer S, Correy GJ, Schuller M, Ferla MP, Doruk YU, Rachman M, Wu T, Diolaiti M, Wang S, Neitz RJ, Fearon D, Radchenko DS, Moroz YS, Irwin JJ, Renslo AR, Taylor JC, Gestwicki JE, von Delft F, Ashworth A, Ahel I, Shoichet BK, Fraser JS

Proc Natl Acad Sci U S A. 120(2):e2212931120. doi: 10.1073/pnas.2212931120

Publication date: January 10, 2023

PMID: 36598939

Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore.

Ong HW, Truong A, Kwarcinski F, de Silva C, Avalani K, Havener TM, Chirgwin M, Galal KA, Willis C, Krämer A, Liu S, Knapp S, Derbyshire ER, Zutshi R, Drewry DH

Eur J Med Chem. 249:115043. doi: 10.1016/j.ejmech.2022.115043

Publication date: December 30, 2022

PMID: 36736152

Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction.

Balboa JR, Essig DJ, Ma S, Karer N, Clemmensen LS, Pedersen SW, Joerger AC, Knapp S, Østergaard S, Strømgaard K

J Med Chem. doi: 10.1021/acs.jmedchem.2c01803

Publication date: December 29, 2022

PMID: 36580549

Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile-Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.

Zhou J, Horton JR, Menna M, Fiorentino F, Ren R, Yu D, Hajian T, Vedadi M, Mazzoccanti G, Ciogli A, Weinhold E, Hüben M, Blumenthal RM, Zhang X, Mai A, Rotili D, Cheng X

J Med Chem. doi: 10.1021/acs.jmedchem.2c01789

Publication date: December 29, 2022

PMID: 36581322

Skeletal muscle metabolism and contraction performance regulation by teneurin C-terminal-associated peptide-1.

Hogg DW, Reid AL, Dodsworth TL, Chen Y, Reid RM, Xu M, Husic M, Biga PR, Slee A, Buck LT, Barsyte-Lovejoy D, Locke M, Lovejoy DA

Front Physiol. 13:1031264. doi: 10.3389/fphys.2022.1031264

Publication date: December 17, 2022

PMID: 36523555

High-content live-cell multiplex screen for chemogenomic compound annotation based on nuclear morphology.

Tjaden A, Giessmann RT, Knapp S, Schröder M, Müller S

STAR Protoc. 3(4):101791. doi: 10.1016/j.xpro.2022.101791

Publication date: December 16, 2022

PMID: 36317177

MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.

Schröder M, Leiendecker M, Grädler U, Braun J, Blum A, Wanior M, Berger BT, Krämer A, Müller S, Esdar C, Knapp S, Heinrich T

J Med Chem. doi: 10.1021/acs.jmedchem.2c01705

Publication date: December 14, 2022

PMID: 36516476

The future of chemical probes is diversity.

Müller S, Frye S, Baell J

RSC Med Chem. 13(12):1438. doi: 10.1039/d2md90036j

Publication date: December 14, 2022

PMID: 36561071

Identification of highly specific antibodies for Serine/threonine-protein kinase TBK1 for use in immunoblot, immunoprecipitation and immunofluorescence.

Alshafie W, Fotouhi M, Shlaifer I, Ayoubi R, Edwards AM, Durcan TM, McPherson PS, Laflamme C

F1000Res. 11:977. doi: 10.12688/f1000research.124632.2

Publication date: December 7, 2022

PMID: 36415206

Distal extracellular teneurin region (teneurin C-terminal associated peptide; TCAP) possesses independent intracellular calcium regulating actions, in vitro: A potential antagonist of corticotropin-releasing factor (CRF).

Hogg DW, Casatti CC, Belsham DD, Baršytė-Lovejoy D, Lovejoy DA

Biochem Biophys Rep. 32:101397. doi: 10.1016/j.bbrep.2022.101397

Publication date: December 6, 2022

PMID: 36467544

Autoantigenic properties of the aminoacyl tRNA synthetase family in idiopathic inflammatory myopathies.

Preger C, Notarnicola A, Hellström C, Wigren E, Fernandes-Cerqueira C, Kvarnström M, Wahren-Herlenius M, Idborg H, Lundberg IE, Persson H, Gräslund S, Jakobsson PJ

J Autoimmun. 134:102951. doi: 10.1016/j.jaut.2022.102951

Publication date: December 2, 2022

PMID: 36470210

An open source plant kinase chemogenomics set.

Ercoli MF, Ramos PZ, Jain R, Pilotte J, Dong OX, Thompson T, Wells CI, Elkins JM, Edwards AM, Couñago RM, Drewry DH, Ronald PC

Plant Direct. 6(11):e460. doi: 10.1002/pld3.460

Publication date: December 1, 2022

PMID: 36447653

Discovery of 3-Amino-1H-pyrazole-Based Kinase Inhibitors to Illuminate the Understudied PCTAIRE Family.

Amrhein JA, Berger LM, Tjaden A, Krämer A, Elson L, Tolvanen T, Martinez-Molina D, Kaiser A, Schubert-Zsilavecz M, Müller S, Knapp S, Hanke T

Int J Mol Sci. 23(23):. doi: 10.3390/ijms232314834

Publication date: November 27, 2022

PMID: 36499165

ProxyBind: A compendium of binding sites for proximity-induced pharmacology.

Rovers E, Liu L, Schapira M

Comput Struct Biotechnol J. 20:6163-6171. doi: 10.1016/j.csbj.2022.11.010

Publication date: November 25, 2022

PMID: 36420167

Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.

Amrhein JA, Beyett TS, Feng WW, Krämer A, Weckesser J, Schaeffner IK, Rana JK, Jänne PA, Eck MJ, Knapp S, Hanke T

J Med Chem. doi: 10.1021/acs.jmedchem.2c01041

Publication date: November 16, 2022

PMID: 36384036

Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.

Stephenson Clarke JR, Douglas LR, Duriez PJ, Balourdas DI, Joerger AC, Khadiullina R, Bulatov E, Baud MGJ

ACS Pharmacol Transl Sci. 5(11):1169-1180. doi: 10.1021/acsptsci.2c00164

Publication date: November 11, 2022

PMID: 36407959

Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.

Chaikuad A, Zhubi R, Tredup C, Knapp S

IUCrJ. 9(Pt 6):720-727. doi: 10.1107/S2052252522008582

Publication date: November 1, 2022

PMID: 36381143

Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease.

Payliss BJ, Tse YWE, Reichheld SE, Lemak A, Yun HY, Houliston S, Patel A, Arrowsmith CH, Sharpe S, Wyatt HDM

Cell Rep. 41(4):111537. doi: 10.1016/j.celrep.2022.111537

Publication date: October 25, 2022

PMID: 36288699

The Chemical Probes Portal: an expert review-based public resource to empower chemical probe assessment, selection and use.

Antolin AA, Sanfelice D, Crisp A, Villasclaras Fernandez E, Mica IL, Chen Y, Collins I, Edwards A, Müller S, Al-Lazikani B, Workman P

Nucleic Acids Res. doi: 10.1093/nar/gkac909

Publication date: October 21, 2022

PMID: 36268860

Discovery of Hit Compounds for Methyl-lysine Reader Proteins from a Target Class DNA-Encoded Library.

Shell DJ, Rectenwald JM, Buttery PH, Johnson RL, Foley CA, Guduru SKR, Uguen M, Rubiano JS, Zhang X, Li F, Norris-Drouin JL, Axtman M, Brian Hardy P, Vedadi M, Frye SV, James LI, Pearce KH

SLAS Discov. doi: 10.1016/j.slasd.2022.10.003

Publication date: October 19, 2022

PMID: 36272689

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