Publications

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Displaying 51 - 100 of 2418

2023

September 2023

Discovery of Nedd4 auto-ubiquitination inhibitors.
Yong D, Green SR, Ghiabi P, Santhakumar V, Vedadi M
Sci Rep 13(1):16057 . doi: 10.1038/s41598-023-42997-z
Publication date: September 25, 2023
PMID: 37749144
Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Inniss NL, Kozic J, Li F, Rosas-Lemus M, Minasov G, Rybáček J, Zhu Y, Pohl R, Shuvalova L, Rulíšek L, Brunzelle JS, Bednárová L, Štefek M, Kormaník JM, Andris E, Šebestík J, Li ASM, Brown PJ, Schmitz U, Saikatendu K, Chang E, Nencka R, Vedadi M, Satchell KJF
ACS Infect Dis . doi: 10.1021/acsinfecdis.3c00203
Publication date: September 20, 2023
PMID: 37728236
RNF8 ubiquitylation of XRN2 facilitates R-loop resolution and restrains genomic instability in BRCA1 mutant cells.
Krishnan R, Lapierre M, Gautreau B, Nixon KCJ, El Ghamrasni S, Patel PS, Hao J, Yerlici VT, Guturi KKN, St-Germain J, Mateo F, Saad A, Algouneh A, Earnshaw R, Shili D, Seitova A, Miller J, Khosraviani N, Penn A, Ho B, Sanchez O, Hande MP, Masson JY, Brown GW, Alaoui-Jamali M, Reynolds JJ, Arrowsmith C, Raught B, Pujana MA, Mekhail K, Stewart GS, Hakem A, Hakem R
Nucleic Acids Res . doi: 10.1093/nar/gkad733
Publication date: September 11, 2023
PMID: 37697435
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, Gräslund 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
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, Müller S
Methods Mol Biol 2706:75-88 . doi: 10.1007/978-1-0716-3397-7_6
Publication date: August 10, 2023
PMID: 37558942
Annotation of the Effect of Chemogenomic Compounds on Cell Health Using High-Content Microscopy in Live-Cell Mode.
Tjaden A, Knapp S, Müller 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.
Němec 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
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
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

Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Tilley L, Xie S, Wang Y, Morton C, Metcalfe R, Dogovski C, Pasaje CF, Dunn E, Luth M, Kumpornsin K, Istvan E, Park J, Fairhurst K, Yeo T, Yildirim O, Bhebhe M, Klug D, Rutledge P, Godoy L, Dey S, De Souza M, Siqueira-Neto J, Ketprasit N, Du Y, Amini M, Shami G, Nie S, Williamson N, Jana G, Maity B, Thomson P, Foley T, Loesbanluechai D, Puhalovich T, Tan D, Niles J, Han BW, Goldberg D, Burrows J, Fidock D, Lee M, Winzeler E, Griffin M, Todd M
Res Sq . doi: 10.21203/rs.3.rs-3198291/v1
Publication date: July 27, 2023
PMID: 37546892
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 NFκB 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, Krämer 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 PPARγ Modulation.
Arifi S, Marschner JA, Pollinger J, Isigkeit L, Heitel P, Kaiser A, Obeser L, Höfner 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, Böttcher 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, Köster M, Krämer O, Llaveria J, Lessel U, Lindemann S, Linderoth L, Matsui H, Michel M, Montel F, Mueller-Fahrnow A, Müller S, Owen DR, Saikatendu KS, Santhakumar V, Sanderson W, Scholten C, Schapira M, Sharma S, Shireman B, Sundström 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
Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Schwalm MP, Krämer A, Dölle 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
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
Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase.
Singh I, Li F, Fink EA, Chau I, Li A, Rodriguez-Hernández A, Glenn I, Zapatero-Belinchón FJ, Rodriguez ML, Devkota K, Deng Z, White K, Wan X, Tolmachova NA, Moroz YS, Kaniskan HÜ, Ott M, García-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, Krämer 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 eIF2α 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, Couñago 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 1ε vs Casein Kinase 1δ.
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, Couñago 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, Krämer 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, Krämer A, Elson L, Lučić 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

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