Publications

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Displaying 1 - 50 of 2364

2023

September 2023

The RavA-ViaA chaperone complex modulates bacterial persistence through its association with the fumarate reductase enzyme.

Bhandari V, Reichheld SE, Houliston S, Lemak A, Arrowsmith CH, Sharpe S, Houry WA
J Biol Chem 105199 . doi: 10.1016/j.jbc.2023.105199
Publication date: September 1, 2023
PMID: 37660904

Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation.

Pichon MM, Drelinkiewicz D, Lozano D, Moraru R, Hayward LJ, Jones M, McCoy MA, Allstrum-Graves S, Balourdas DI, Joerger AC, Whitby RJ, Goldup SM, Wells N, Langley GJ, Herniman JM, Baud MGJ
Bioconjug Chem . doi: 10.1021/acs.bioconjchem.3c00322
Publication date: September 1, 2023
PMID: 37657082

August 2023

How many kinases are druggable? A review of our current understanding.

Anderson B, Rosston P, Ong HW, Hossain MA, Davis-Gilbert ZW, Drewry DH
Biochem J 480(16):1331-1363 . doi: 10.1042/BCJ20220217
Publication date: August 30, 2023
PMID: 37642371

Investigation of the Host Kinome Response to Coronavirus Infection Reveals PI3K/mTOR Inhibitors as Betacoronavirus Antivirals.

Fritch EJ, Mordant AL, Gilbert TSK, Wells CI, Yang X, Barker NK, Madden EA, Dinnon KH, Hou YJ, Tse LV, Castillo IN, Sims AC, Moorman NJ, Lakshmanane P, Willson TM, Herring LE, Graves LM, Baric RS
J Proteome Res . doi: 10.1021/acs.jproteome.3c00182
Publication date: August 27, 2023
PMID: 37634194

The chromatin and single-cell transcriptional landscapes of CD4 T cells in inflammatory bowel disease link risk loci with a proinflammatory Th17 cell population.

Medina TS, Murison A, Smith M, Kinker GS, Chakravarthy A, Vitiello GAF, Turpin W, Shen SY, Yau HL, Sarmento OF, Faubion W, Lupien M, Silverberg MS, Arrowsmith CH, De Carvalho DD
Front Immunol 14:1161901 . doi: 10.3389/fimmu.2023.1161901
Publication date: August 21, 2023
PMID: 37600767

SETD7 functions as a transcription repressor in prostate cancer via methylating FOXA1.

Wang Z, Petricca J, Liu M, Zhang S, Chen S, Li M, Besschetnova A, Patalano S, Venkataramani K, Siegfried KR, Macoska JA, Han D, Gao S, Vedadi M, Arrowsmith CH, He HH, Cai C
Proc Natl Acad Sci U S A 120(33):e2220472120 . doi: 10.1073/pnas.2220472120
Publication date: August 15, 2023
PMID: 37549269

Autoantibodies against the melanoma differentiation-associated protein 5 in patients with dermatomyositis target the helicase domains.

Van Gompel E, Demirdal D, Fernandes-Cerqueira C, Horuluoglu B, Galindo-Feria A, Wigren E, GrÃ¤slund S, De Langhe E, Benveniste O, Notarnicola A, Chemin K, Lundberg IE
Rheumatology (Oxford) . doi: 10.1093/rheumatology/kead400
Publication date: August 12, 2023
PMID: 37572295

Annotation of the Effect of Chemogenomic Compounds on Cell Health Using High-Content Microscopy in Live-Cell Mode.

Tjaden A, Knapp S, MÃ¼ller S
Methods Mol Biol 2706:59-73 . doi: 10.1007/978-1-0716-3397-7_5
Publication date: August 10, 2023
PMID: 37558941

Quality Control of Chemogenomic Library Using LC-MS.

NÄ›mec V, Knapp S
Methods Mol Biol 2706:51-58 . doi: 10.1007/978-1-0716-3397-7_4
Publication date: August 10, 2023
PMID: 37558940

Developing a Kinase Chemogenomic Set: Facilitating Investigation into Kinase Biology by Linking Phenotypes to Targets.

Wells CI, Drewry DH
Methods Mol Biol 2706:11-24 . doi: 10.1007/978-1-0716-3397-7_2
Publication date: August 10, 2023
PMID: 37558938

Development of selective class I protein arginine methyltransferase inhibitors through fragment-based drug design approach.

Bhattacharya D, Shi Ming Li A, Paul B, Ghosh Dastidar U, Santhakumar V, Sarkar D, Chau I, Li F, Ghosh T, Vedadi M, Talukdar A
Eur J Med Chem 260:115713 . doi: 10.1016/j.ejmech.2023.115713
Publication date: August 10, 2023
PMID: 37597437

3D Spheroid Invasion Assay for High-Throughput Screening of Small-Molecule Libraries.

Karve K, Poon S, Prinos P, Ailles L
Methods Mol Biol 2706:201-214 . doi: 10.1007/978-1-0716-3397-7_15
Publication date: August 10, 2023
PMID: 37558951

HiBiT Cellular Thermal Shift Assay (HiBiT CETSA).

Ramachandran S, Szewczyk M, Barghout SH, Ciulli A, Barsyte-Lovejoy D, Vu V
Methods Mol Biol 2706:149-165 . doi: 10.1007/978-1-0716-3397-7_11
Publication date: August 10, 2023
PMID: 37558947

Measuring Protein-Protein Interactions in Cells using Nanoluciferase Bioluminescence Resonance Energy Transfer (NanoBRET) Assay.

Szewczyk MM, Owens DDG, Barsyte-Lovejoy D
Methods Mol Biol 2706:137-148 . doi: 10.1007/978-1-0716-3397-7_10
Publication date: August 10, 2023
PMID: 37558946

Characterization of Cellular Viability Using Label-Free Brightfield Live-Cell Imaging.

Elson L, Tjaden A, Knapp S, MÃ¼ller S
Methods Mol Biol 2706:75-88 . doi: 10.1007/978-1-0716-3397-7_6
Publication date: August 10, 2023
PMID: 37558942

SETDB1 Triple Tudor Domain Ligand, (R,R)-59, Promotes Methylation of Akt1 in Cells.

Uguen M, Deng Y, Li F, Shell DJ, Norris-Drouin JL, Stashko MA, Ackloo S, Arrowsmith CH, James LI, Liu P, Pearce KH, Frye SV
ACS Chem Biol . doi: 10.1021/acschembio.3c00280
Publication date: August 9, 2023
PMID: 37556795

The identification of high-performing antibodies for transmembrane protein 106B (TMEM106B) for use in Western blot, immunoprecipitation, and immunofluorescence.

Ayoubi R, Fotouhi M, Southern K, Bhajiawala R, Fanti R, Prinos P, McPherson PS, Laflamme C
F1000Res 12:308 . doi: 10.12688/f1000research.131333.1
Publication date: August 7, 2023
PMID: 37545650

July 2023

Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.

Harding RJ, Franzoni I, Mann MK, Szewczyk MM, Mirabi B, Ferreira de Freitas R, Owens DDG, Ackloo S, Scheremetjew A, Juarez-Ornelas KA, Sanichar R, Baker RJ, Dank C, Brown PJ, Barsyte-Lovejoy D, Santhakumar V, Schapira M, Lautens M, Arrowsmith CH
J Med Chem . doi: 10.1021/acs.jmedchem.3c00314
Publication date: July 27, 2023
PMID: 37499118

The Canadian Open Neuroscience Platform-An open science framework for the neuroscience community.

Harding RJ, Bermudez P, Bernier A, Beauvais M, Bellec P, Hill S, Karakuzu A, Knoppers BM, Pavlidis P, Poline JB, Roskams J, Stikov N, Stone J, Strother S, Evans AC
PLoS Comput Biol 19(7):e1011230 . doi: 10.1371/journal.pcbi.1011230
Publication date: July 27, 2023
PMID: 37498959

5-Iodotubercidin sensitizes cells to RIPK1-dependent necroptosis by interfering with NFÎºB signaling.

Chauhan C, Kraemer A, Knapp S, Windheim M, Kotlyarov A, Menon MB, Gaestel M
Cell Death Discov 9(1):262 . doi: 10.1038/s41420-023-01576-x
Publication date: July 26, 2023
PMID: 37495567

Discovery and characterization of a specific inhibitor of serine-threonine kinase cyclin dependent kinase-like 5 (CDKL5) demonstrates role in hippocampal CA1 physiology.

Castano A, Silvestre M, Wells CI, Sanderson JL, Ferrer CA, Ong HW, Lang Y, Richardson W, Silvaroli JA, Bashore FM, Smith JL, Genereux IM, Dempster K, Drewry DH, Pabla NS, Bullock AN, Benke TA, Ultanir S, Axtman AD
Elife 12: . doi: 10.7554/eLife.88206
Publication date: July 25, 2023
PMID: 37490324

Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.

Deau E, Lindberg MF, Miege F, Roche D, George N, George P, KrÃ¤mer A, Knapp S, Meijer L
J Med Chem . doi: 10.1021/acs.jmedchem.3c00884
Publication date: July 24, 2023
PMID: 37487467

June 2023

Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPARÎ³ Modulation.

Arifi S, Marschner JA, Pollinger J, Isigkeit L, Heitel P, Kaiser A, Obeser L, HÃ¶fner G, Proschak E, Knapp S, Chaikuad A, Heering J, Merk D
J Am Chem Soc . doi: 10.1021/jacs.3c03417
Publication date: June 29, 2023
PMID: 37385602

CaMKK2 is not involved in contraction-stimulated AMPK activation and glucose uptake in skeletal muscle.

Negoita F, Addinsall AB, Hellberg K, Bringas CF, Hafen PS, Sermersheim TJ, Agerholm M, Lewis CTA, Ahwazi D, Ling NXY, Larsen JK, Deshmukh AS, Hossain MA, Oakhill JS, Ochala J, Brault JJ, Sankar U, Drewry DH, Scott JW, Witczak CA, Sakamoto K
Mol Metab 101761 . doi: 10.1016/j.molmet.2023.101761
Publication date: June 26, 2023
PMID: 37380024

Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.

Kimani SW, Owen J, Green SR, Li F, Li Y, Dong A, Brown PJ, Ackloo S, Kuter D, Yang C, MacAskill M, MacKinnon SS, Arrowsmith CH, Schapira M, Shahani V, Halabelian L
J Chem Inf Model . doi: 10.1021/acs.jcim.3c00082
Publication date: June 23, 2023
PMID: 37350740

Target 2035 - an update on private sector contributions.

Ackloo S, Antolin AA, Bartolome JM, Beck H, Bullock A, Betz UAK, BÃ¶ttcher J, Brown PJ, Chaturvedi M, Crisp A, Daniels D, Dreher J, Edfeldt K, Edwards AM, Egner U, Elkins J, Fischer C, Glendorf T, Goldberg S, Hartung IV, Hillisch A, Homan E, Knapp S, KÃ¶ster M, KrÃ¤mer O, Llaveria J, Lessel U, Lindemann S, Linderoth L, Matsui H, Michel M, Montel F, Mueller-Fahrnow A, MÃ¼ller S, Owen DR, Saikatendu KS, Santhakumar V, Sanderson W, Scholten C, Schapira M, Sharma S, Shireman B, SundstrÃ¶m M, Todd MH, Tredup C, Venable J, Willson TM, Arrowsmith CH
RSC Med Chem 14(6):1002-1011 . doi: 10.1039/d2md00441k
Publication date: June 22, 2023
PMID: 37360399

Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40.

Alteen MG, Deme JC, Alvarez CP, Loppnau P, Hutchinson A, Seitova A, Chandrasekaran R, Silva Ramos E, Secker C, Alqazzaz M, Wanker EE, Lea SM, Arrowsmith CH, Harding RJ
Structure . doi: 10.1016/j.str.2023.06.002
Publication date: June 20, 2023
PMID: 37390814

Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.

Schwalm MP, KrÃ¤mer A, DÃ¶lle A, Weckesser J, Yu X, Jin J, Saxena K, Knapp S
Cell Chem Biol . doi: 10.1016/j.chembiol.2023.06.002
Publication date: June 20, 2023
PMID: 37354907

Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase.

Singh I, Li F, Fink EA, Chau I, Li A, Rodriguez-HernÃ¡ndez A, Glenn I, Zapatero-BelinchÃ³n FJ, Rodriguez ML, Devkota K, Deng Z, White K, Wan X, Tolmachova NA, Moroz YS, Kaniskan HÃœ, Ott M, GarcÃa-Sastre A, Jin J, Fujimori DG, Irwin JJ, Vedadi M, Shoichet BK
J Med Chem . doi: 10.1021/acs.jmedchem.2c02120
Publication date: June 9, 2023
PMID: 37294077

Design and Synthesis of Pyrazole-Based Macrocyclic Kinase Inhibitors Targeting BMPR2.

Amrhein JA, Wang G, Berger BT, Berger LM, Kalampaliki AD, KrÃ¤mer A, Knapp S, Hanke T
ACS Med Chem Lett 14(6):833-840 . doi: 10.1021/acsmedchemlett.3c00127
Publication date: June 8, 2023
PMID: 37312836

May 2023

Structural insights into a regulatory mechanism of FIR RRM1-FUSE interaction.

Ni X, Joerger AC, Chaikuad A, Knapp S
Open Biol 13(5):230031 . doi: 10.1098/rsob.230031
Publication date: May 31, 2023
PMID: 37253421

Mutation in the Common Docking Domain Affects MAP Kinase ERK2 Catalysis and Stability.

Novak L, Petrosino M, Pasquo A, Chaikuad A, Chiaraluce R, Knapp S, Consalvi V
Cancers (Basel) 15(11): . doi: 10.3390/cancers15112938
Publication date: May 26, 2023
PMID: 37296900

Identification of inhibitors for the trans-membrane Trypanosoma cruzi eIF2Î± kinase relevant for parasite proliferation.

Marcelino TP, Fala AM, da Silva MM, Souza-Melo N, Malvezzi AM, Klippel AH, Zoltner M, Padilla-Mejia N, Kosto S, Field MC, Burle Caldas GA, Teixeira SMR, CouÃ±ago RM, Massirer KB, Schenkman S
J Biol Chem 104857 . doi: 10.1016/j.jbc.2023.104857
Publication date: May 23, 2023
PMID: 37230387

Open drug discovery in Alzheimer's disease.

Axtman AD, Brennan PE, Frappier-Brinton T, Betarbet R, Carter GW, Fu H, Gileadi O, Greenwood AK, Leal K, Longo FM, Mangravite LM, Edwards AM, Levey AI
Alzheimers Dement (N Y) 9(2):e12394 . doi: 10.1002/trc2.12394
Publication date: May 22, 2023
PMID: 37215505

Structure-Based Development of Isoform-Selective Inhibitors of Casein Kinase 1Îµ vs Casein Kinase 1Î´.

Choi JY, Noguchi Y, Alburger JM, Bayle S, Chung E, Grant W, Chaikuad A, Knapp S, Duckett DR, Roush WR
J Med Chem . doi: 10.1021/acs.jmedchem.2c01180
Publication date: May 19, 2023
PMID: 37204207

Targeting the Divergent Roles of STK3 Inhibits Breast Cancer Cell Growth and Opposes Doxorubicin-Induced Cardiotoxicity In Vitro.

Nam J, Schirmer AU, Loh C, Drewry DH, Macias E
Cancers (Basel) 15(10): . doi: 10.3390/cancers15102817
Publication date: May 18, 2023
PMID: 37345153

A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening.

Scantlebury J, Vost L, Carbery A, Hadfield TE, Turnbull OM, Brown N, Chenthamarakshan V, Das P, Grosjean H, von Delft F, Deane CM
J Chem Inf Model . doi: 10.1021/acs.jcim.3c00322
Publication date: May 11, 2023
PMID: 37166179

A novel BRET-based assay to investigate binding and residence times of unmodified ligands to the human lysosomal ion channel TRPML1 in intact cells.

Cunha MR, Catta-Preta CMC, Takarada JE, Moreira GA, Massirer KB, CouÃ±ago RM
J Biol Chem 104807 . doi: 10.1016/j.jbc.2023.104807
Publication date: May 10, 2023
PMID: 37172730

Editorial: The next generation of tools and technologies for studying human neurons in a dish.

Durcan TM, Axtman AD
Front Cell Neurosci 17:1196543 . doi: 10.3389/fncel.2023.1196543
Publication date: May 1, 2023
PMID: 37124399

April 2023

NMR resonance assignment of a fibroblast growth factor 8 splicing isoform b.

Hargittay B, Mineev KS, Richter C, Sreeramulu S, Jonker HRA, Saxena K, Schwalbe H
Biomol NMR Assign . doi: 10.1007/s12104-023-10132-8
Publication date: April 29, 2023
PMID: 37118562

Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.

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

March 2023

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