Publications

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2024

Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials.

Gilleran JA, Ashraf K, Delvillar M, Eck T, Fondekar R, Miller EB, Hutchinson A, Dong A, Seitova A, De Souza ML, Augeri D, Halabelian L, Siekierka J, Rotella DP, Gordon J, Childers WE, Grier MC, Staker BL, Roberge JY, Bhanot P

J Med Chem. doi: 10.1021/acs.jmedchem.3c01795

Publication date: February 19, 2024

PMID: 38372781

Back-pocket optimization of 2-aminopyrimidine-based macrocycles leads to potent dual EPHA2/GAK kinase inhibitors with antiviral activity.

Gerninghaus J, Zhubi R, Kraemer A, Karim M, Tran DHN, Joerger AC, Schreiber C, Berger LM, Berger BT, Ehret TAL, Elson L, Lenz C, Saxena K, Mueller S, Einav S, Knapp S, Hanke T

bioRxiv. doi: 10.1101/2024.02.18.580805

Publication date: February 18, 2024

PMID: 38405908

Discovery of a Small Molecule Activator of Slack (Kcnt1) Potassium Channels That Significantly Reduces Scratching in Mouse Models of Histamine-Independent and Chronic Itch.

Balzulat A, Zhu WF, Flauaus C, Hernandez-Olmos V, Heering J, Sethumadhavan S, Dubiel M, Frank A, Menge A, Hebchen M, Metzner K, Lu R, Lukowski R, Ruth P, Knapp S, Müller S, Steinhilber D, Hänelt I, Stark H, Proschak E, Schmidtko A

Adv Sci (Weinh). e2307237. doi: 10.1002/advs.202307237

Publication date: February 13, 2024

PMID: 38350720

Photosensitization enables Pauson-Khand-type reactions with nitrenes.

Li F, Zhu WF, Empel C, Datsenko O, Kumar A, Xu Y, Ehrler JHM, Atodiresei I, Knapp S, Mykhailiuk PK, Proschak E, Koenigs RM

Science. 383(6682):498-503. doi: 10.1126/science.adm8095

Publication date: February 2, 2024

PMID: 38301027

Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.

Bauer N, Balourdas DI, Schneider JR, Zhang X, Berger LM, Berger BT, Schwalm MP, Klopp NA, Siveke JT, Knapp S, Joerger AC

ACS Chem Biol. doi: 10.1021/acschembio.3c00427

Publication date: January 31, 2024

PMID: 38291964

Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.

Xie SC, Wang Y, Morton CJ, Metcalfe RD, Dogovski C, Pasaje CFA, Dunn E, Luth MR, Kumpornsin K, Istvan ES, Park JS, Fairhurst KJ, Ketprasit N, Yeo T, Yildirim O, Bhebhe MN, Klug DM, Rutledge PJ, Godoy LC, Dey S, De Souza ML, Siqueira-Neto JL, Du Y, Puhalovich T, Amini M, Shami G, Loesbanluechai D, Nie S, Williamson N, Jana GP, Maity BC, Thomson P, Foley T, Tan DS, Niles JC, Han BW, Goldberg DE, Burrows J, Fidock DA, Lee MCS, Winzeler EA, Griffin MDW, Todd MH, Tilley L

Nat Commun. 15(1):937. doi: 10.1038/s41467-024-45224-z

Publication date: January 31, 2024

PMID: 38297033

ChemRAP uncovers specific mRNA translation regulation via RNA 5' phospho-methylation.

Ipas H, Gouws EB, Abell NS, Chiou PC, Devanathan SK, Hervé S, Lee S, Mercado M, Reinsborough C, Halabelian L, Arrowsmith CH, Xhemalçe B

EMBO Rep. doi: 10.1038/s44319-024-00059-z

Publication date: January 23, 2024

PMID: 38263329

Small Molecule Screen Identifies Non-catalytic USP3 Chemical Handle.

Mann MK, Wolf E, Silva M, Kwak HA, Wilson B, Bolotokova A, Wilson DJ, Harding RJ, Schapira M

ACS Omega. 9(1):917-924. doi: 10.1021/acsomega.3c07070

Publication date: January 9, 2024

PMID: 38222562

Identification of 4-(6-((2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acids as CSNK2A inhibitors with antiviral activity and improved selectivity over PIM3.

Galal KA, Krämer A, Strickland BG, Smith JL, Dickmander RJ, Moorman NJ, Willson TM

Bioorg Med Chem Lett. 99:129617. doi: 10.1016/j.bmcl.2024.129617

Publication date: January 8, 2024

PMID: 38199328

2023

Atg8 family proteins, LIR/AIM motifs and other interaction modes.

Rogov VV, Nezis IP, Tsapras P, Zhang H, Dagdas Y, Noda NN, Nakatogawa H, Wirth M, Mouilleron S, McEwan DG, Behrends C, Deretic V, Elazar Z, Tooze SA, Dikic I, Lamark T, Johansen T

Autophagy Rep. 2(1):. doi: 10.1080/27694127.2023.2188523

Publication date: December 31, 2023

PMID: 38214012

Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.

Amrhein JA, Berger LM, Balourdas DI, Joerger AC, Menge A, Krämer A, Frischkorn JM, Berger BT, Elson L, Kaiser A, Schubert-Zsilavecz M, Müller S, Knapp S, Hanke T

J Med Chem. doi: 10.1021/acs.jmedchem.3c01980

Publication date: December 21, 2023

PMID: 38126712

Discovery of pyrazolo[3,4-d]pyrimidines as novel mitogen-activated protein kinase kinase 3 (MKK3) inhibitors.

Takarada JE, Cunha MR, Almeida VM, Vasconcelos SNS, Santiago AS, Godoi PH, Salmazo A, Ramos PZ, Fala AM, de Souza LR, Da Silva IEP, Bengtson MH, Massirer KB, Couñago RM

Bioorg Med Chem. 98:117561. doi: 10.1016/j.bmc.2023.117561

Publication date: December 20, 2023

PMID: 38157838

The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.

Kimani SW, Perveen S, Szewezyk M, Zeng H, Dong A, Li F, Ghiabi P, Li Y, Chau I, Arrowsmith CH, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Halabelian L

Commun Biol. 6(1):1272. doi: 10.1038/s42003-023-05655-8

Publication date: December 16, 2023

PMID: 38104184

Characterization of 2,4-Dianilinopyrimidines Against Five P. falciparum Kinases PfARK1, PfARK3, PfNEK3, PfPK9, and PfPKB.

Ong HW, de Silva C, Avalani K, Kwarcinski F, Mansfield CR, Chirgwin M, Truong A, Derbyshire ER, Zutshi R, Drewry DH

ACS Med Chem Lett. 14(12):1774-1784. doi: 10.1021/acsmedchemlett.3c00354

Publication date: December 14, 2023

PMID: 38116430

Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.

Fnaiche A, Chan HC, Paquin A, González Suárez N, Vu V, Li F, Allali-Hassani A, Cao MA, Szewczyk MM, Bolotokova A, Allemand F, Gelin M, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Guichou JF, Annabi B, Gagnon A

ACS Med Chem Lett. 14(12):1746-1753. doi: 10.1021/acsmedchemlett.3c00386

Publication date: December 14, 2023

PMID: 38116405

Epigenetic vulnerabilities of leukemia harboring inactivating EZH2 mutations.

Alqazzaz MA, Luciani GM, Vu V, Machado RAC, Szewczyk MM, Adamson EC, Cheon S, Li F, Arrowsmith CH, Minden MD, Barsyte-Lovejoy D

Exp Hematol. 104135. doi: 10.1016/j.exphem.2023.11.009

Publication date: December 10, 2023

PMID: 38072134

Chemical, Biochemical, Cellular, and Physiological Characterization of Leucettinib-21, a Down Syndrome and Alzheimer's Disease Drug Candidate.

Lindberg MF, Deau E, Miege F, Greverie M, Roche D, George N, George P, Merlet L, Gavard J, Brugman SJT, Aret E, Tinnemans P, de Gelder R, Sadownik J, Verhofstad E, Sleegers D, Santangelo S, Dairou J, Fernandez-Blanco Á, Dierssen M, Krämer A, Knapp S, Meijer L

J Med Chem. doi: 10.1021/acs.jmedchem.3c01888

Publication date: December 5, 2023

PMID: 38051674

A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.

Deng Y, Song X, Iyamu ID, Dong A, Min J, Huang R

Acta Pharm Sin B. 13(12):4893-4905. doi: 10.1016/j.apsb.2023.07.022

Publication date: December 4, 2023

PMID: 38045046

Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting.

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

Elife. 12:. doi: 10.7554/eLife.86189

Publication date: December 4, 2023

PMID: 38047771

Synthesis and Biological Evaluation of 2-Substituted Quinazolin-4(3H)-Ones with Antiproliferative Activities.

Karelou M, Kampasis D, Kalampaliki AD, Persoons L, Krämer A, Schols D, Knapp S, De Jonghe S, Kostakis IK

Molecules. 28(23):. doi: 10.3390/molecules28237912

Publication date: December 2, 2023

PMID: 38067641

Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.

Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE

Sci Adv. 9(48):eadk6191. doi: 10.1126/sciadv.adk6191

Publication date: December 1, 2023

PMID: 38039358

SGC-CLK-1: A chemical probe for the Cdc2-like kinases CLK1, CLK2, and CLK4.

Tiek D, Wells CI, Schröder M, Song X, Alamillo-Ferrer C, Goenka A, Iglesia R, Lu M, Hu B, Kwarcinski F, Sintha P, de Silva C, Hossain MA, Picado A, Zuercher W, Zutshi R, Knapp S, Riggins RB, Cheng SY, Drewry DH

Curr Res Chem Biol. 3:. doi: 10.1016/j.crchbi.2023.100045

Publication date: November 27, 2023

PMID: 38009092

Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.

Ahmad S, Xu J, Feng JA, Hutchinson A, Zeng H, Ghiabi P, Dong A, Centrella PA, Clark MA, Guié MA, Guilinger JP, Keefe AD, Zhang Y, Cerruti T, Cuozzo JW, von Rechenberg M, Bolotokova A, Li Y, Loppnau P, Seitova A, Li YY, Santhakumar V, Brown PJ, Ackloo S, Halabelian L

J Med Chem. doi: 10.1021/acs.jmedchem.3c01471

Publication date: November 23, 2023

PMID: 37996079

Scaling of an antibody validation procedure enables quantification of antibody performance in major research applications.

Ayoubi R, Ryan J, Biddle MS, Alshafie W, Fotouhi M, Bolivar SG, Ruiz Moleon V, Eckmann P, Worrall D, McDowell I, Southern K, Reintsch W, Durcan TM, Brown C, Bandrowski A, Virk H, Edwards AM, McPherson P, Laflamme C

Elife. 12:. doi: 10.7554/eLife.91645

Publication date: November 23, 2023

PMID: 37995198

An atypical GABARAP binding module drives the pro-autophagic potential of the AML-associated NPM1c variant.

Mende H, Khatri A, Lange C, Poveda-Cuevas SA, Tascher G, Covarrubias-Pinto A, Löhr F, Koschade SE, Dikic I, Münch C, Bremm A, Brunetti L, Brandts CH, Uckelmann H, Dötsch V, Rogov VV, Bhaskara RM, Müller S

Cell Rep. 42(12):113484. doi: 10.1016/j.celrep.2023.113484

Publication date: November 22, 2023

PMID: 37999976

Open Source Antibiotics: Simple Diarylimidazoles Are Potent against Methicillin-Resistant Staphylococcus aureus.

Klug DM, Tse EG, Silva DG, Cao Y, Charman SA, Chauhan J, Crighton E, Dichiara M, Drake C, Drewry D, da Silva Emery F, Ferrins L, Graves L, Hopkins E, Kresina TAC, Lorente-Macías Á, Perry B, Phipps R, Quiroga B, Quotadamo A, Sabatino GN, Sama A, Schätzlein A, Simpson QJ, Steele J, Shanu-Wilson J, Sjö P, Stapleton P, Swain CJ, Vaideanu A, Xie H, Zuercher W, Todd MH

ACS Infect Dis. doi: 10.1021/acsinfecdis.3c00286

Publication date: November 22, 2023

PMID: 37991879

From cultivation to cancer: formation of N-nitrosamines and other carcinogens in smokeless tobacco and their mutagenic implications.

Stanfill SB, Hecht SS, Joerger AC, González PJ, Maia LB, Rivas MG, Moura JJG, Gupta AK, Le Brun NE, Crack JC, Hainaut P, Sparacino-Watkins C, Tyx RE, Pillai SD, Zaatari GS, Henley SJ, Blount BC, Watson CH, Kaina B, Mehrotra R

Crit Rev Toxicol. 1-44. doi: 10.1080/10408444.2023.2264327

Publication date: November 21, 2023

PMID: 38050998

The PB1 and the ZZ domain of the autophagy receptor p62/SQSTM1 regulate the interaction of p62/SQSTM1 with the autophagosome protein LC3B.

Alcober-Boquet L, Zang T, Pietsch L, Suess E, Hartmann M, Proschak E, Gross LZF, Sacerdoti M, Zeuzem S, Rogov VV, Leroux AE, Piiper A, Biondi RM

Protein Sci. e4840. doi: 10.1002/pro.4840

Publication date: November 20, 2023

PMID: 37984441

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.

Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC, Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, García-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, MacLean EM, Makower LL, Malla TR, Marples PG, Matviiuk T, McCorkindale W, McGovern BL, Melamed S, Melnykov KP, Michurin O, Miesen P, Mikolajek H, Milne BF, Minh D, Morris A, Morris GM, Morwitzer MJ, Moustakas D, Mowbray CE, Nakamura AM, Neto JB, Neyts J, Nguyen L, Noske GD, Oleinikovas V, Oliva G, Overheul GJ, Owen CD, Pai R, Pan J, Paran N, Payne AM, Perry B, Pingle M, Pinjari J, Politi B, Powell A, Pšenák V, Pulido I, Puni R, Rangel VL, Reddi RN, Rees P, Reid SP, Reid L, Resnick E, Ripka EG, Robinson RP, Rodriguez-Guerra J, Rosales R, Rufa DA, Saar K, Saikatendu KS, Salah E, Schaller D, Scheen J, Schiffer CA, Schofield CJ, Shafeev M, Shaikh A, Shaqra AM, Shi J, Shurrush K, Singh S, Sittner A, Sjö P, Skyner R, Smalley A, Smeets B, Smilova MD, Solmesky LJ, Spencer J, Strain-Damerell C, Swamy V, Tamir H, Taylor JC, Tennant RE, Thompson W, Thompson A, Tomásio S, Tomlinson CWE, Tsurupa IS, Tumber A, Vakonakis I, van Rij RP, Vangeel L, Varghese FS, Vaschetto M, Vitner EB, Voelz V, Volkamer A, Walsh MA, Ward W, Weatherall C, Weiss S, White KM, Wild CF, Witt KD, Wittmann M, Wright N, Yahalom-Ronen Y, Yilmaz NK, Zaidmann D, Zhang I, Zidane H, Zitzmann N, Zvornicanin SN

Science. 382(6671):eabo7201. doi: 10.1126/science.abo7201

Publication date: November 10, 2023

PMID: 37943932

Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.

Reinecke M, Brear P, Vornholz L, Berger BT, Seefried F, Wilhelm S, Samaras P, Gyenis L, Litchfield DW, Médard G, Müller S, Ruland J, Hyvönen M, Wilhelm M, Kuster B

Nat Chem Biol. doi: 10.1038/s41589-023-01459-3

Publication date: October 30, 2023

PMID: 37904048

Fused Tetrahydroquinolines Are Interfering with Your Assay.

Bashore FM, Annor-Gyamfi J, Du Y, Katis V, Nwogbo F, Flax RG, Frye SV, Pearce KH, Fu H, Willson TM, Drewry DH, Axtman AD

J Med Chem. doi: 10.1021/acs.jmedchem.3c01277

Publication date: October 24, 2023

PMID: 37874947

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5-a]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A.

Yang X, Ong HW, Dickmander RJ, Smith JL, Brown JW, Tao W, Chang E, Moorman NJ, Axtman AD, Willson TM

ACS Omega. 8(42):39546-39561. doi: 10.1021/acsomega.3c05377

Publication date: October 24, 2023

PMID: 37901516

Dual Inhibition of Mycobacterium tuberculosis and the Host TGFBR1 by an Anilinoquinazoline.

Nandakumar M, Ollodart A, Fleck N, Kapadia NR, Frando A, Boradia V, Smith JL, Chen J, Zuercher WJ, Willson TM, Grundner C

J Med Chem. doi: 10.1021/acs.jmedchem.3c01273

Publication date: October 23, 2023

PMID: 37871287

Wnt/β-catenin and NFκB signaling synergize to trigger growth-factor-free regeneration of adult primary human hepatocytes.

Oliva-Vilarnau N, Beusch CM, Sabatier P, Sakaraki E, Tjaden A, Graetz L, Büttner FA, Dorotea D, Nguyen M, Bergqvist F, Sundström Y, Müller S, Zubarev RA, Schulte G, Tredup C, Gramignoli R, Tietge UJF, Lauschke VM

Hepatology. doi: 10.1097/HEP.0000000000000648

Publication date: October 23, 2023

PMID: 37870288

Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.

Du Y, Bradshaw WJ, Leisner TM, Annor-Gyamfi JK, Qian K, Bashore FM, Sikdar A, Nwogbo FO, Ivanov AA, Frye SV, Gileadi O, Brennan PE, Levey AI, Axtman AD, Pearce KH, Fu H, Katis VL

J Biol Chem. 105382. doi: 10.1016/j.jbc.2023.105382

Publication date: October 20, 2023

PMID: 37866628

Methods for computer-assisted PROTAC design.

Rovers E, Schapira M

Methods Enzymol. 690:311-340. doi: 10.1016/bs.mie.2023.06.020

Publication date: October 20, 2023

PMID: 37858533

Structure of LRRK1 and mechanisms of autoinhibition and activation.

Reimer JM, Dickey AM, Lin YX, Abrisch RG, Mathea S, Chatterjee D, Fay EJ, Knapp S, Daugherty MD, Reck-Peterson SL, Leschziner AE

Nat Struct Mol Biol. doi: 10.1038/s41594-023-01109-1

Publication date: October 19, 2023

PMID: 37857821

Improving data quality in chemical biology.

Knapp S, Müller S

Nat Chem Biol. doi: 10.1038/s41589-023-01449-5

Publication date: October 16, 2023

PMID: 37845552

DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.

Strubel A, Münick P, Hartmann O, Chaikuad A, Dreier B, Schaefer JV, Gebel J, Osterburg C, Tuppi M, Schäfer B, Buck V, Rosenfeldt M, Knapp S, Plückthun A, Diefenbacher ME, Dötsch V

Cell Death Dis. 14(10):674. doi: 10.1038/s41419-023-06213-0

Publication date: October 12, 2023

PMID: 37828008

Identification of potential inhibitors of casein kinase 2 alpha of Plasmodium falciparum with potent in vitro activity.

Tomaz KCP, Tavella TA, Borba JVB, Salazar-Alvarez LC, Levandoski JE, Mottin M, Sousa BKP, Moreira-Filho JT, Almeida VM, Clementino LC, Bourgard C, Massirer KB, Couñago RM, Andrade CH, Sunnerhagen P, Bilsland E, Cassiano GC, Costa FTM

Antimicrob Agents Chemother. e0058923. doi: 10.1128/aac.00589-23

Publication date: October 11, 2023

PMID: 37819090

Structural Basis for Highly Selective Class II Alpha Phosphoinositide-3-Kinase Inhibition.

Kücükdisli M, Bel-Abed H, Cirillo D, Lo WT, Efrém NL, Horatscheck A, Perepelittchenko L, Prokofeva P, Ehret TAL, Radetzki S, Neuenschwander M, Specker E, Médard G, Müller S, Wilhelm S, Kuster B, von Kries JP, Haucke V, Nazaré M

J Med Chem. doi: 10.1021/acs.jmedchem.3c01319

Publication date: October 11, 2023

PMID: 37819647

Antagonistic roles of canonical and Alternative-RPA in disease-associated tandem CAG repeat instability.

Gall-Duncan T, Luo J, Jurkovic CM, Fischer LA, Fujita K, Deshmukh AL, Harding RJ, Tran S, Mehkary M, Li V, Leib DE, Chen R, Tanaka H, Mason AG, Lévesque D, Khan M, Razzaghi M, Prasolava T, Lanni S, Sato N, Caron MC, Panigrahi GB, Wang P, Lau R, Castel AL, Masson JY, Tippett L, Turner C, Spies M, La Spada AR, Campos EI, Curtis MA, Boisvert FM, Faull RLM, Davidson BL, Nakamori M, Okazawa H, Wold MS, Pearson CE

Cell. doi: 10.1016/j.cell.2023.09.008

Publication date: October 5, 2023

PMID: 37827155

Discovery of a 53BP1 Small Molecule Antagonist Using a Focused DNA-Encoded Library Screen.

Shell DJ, Foley CA, Wang Q, Smith CM, Guduru SKR, Zeng H, Dong A, Norris-Drouin JL, Axtman M, Hardy PB, Gupta G, Halabelian L, Frye SV, James LI, Pearce KH

J Med Chem. doi: 10.1021/acs.jmedchem.3c01192

Publication date: October 2, 2023

PMID: 37782247

A machine learning and live-cell imaging tool kit uncovers small molecules induced phospholipidosis.

Hu H, Tjaden A, Knapp S, Antolin AA, Müller S

Cell Chem Biol. doi: 10.1016/j.chembiol.2023.09.003

Publication date: September 27, 2023

PMID: 37797617

Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.

Fnaiche A, Mélin L, Suárez NG, Paquin A, Vu V, Li F, Allali-Hassani A, Bolotokova A, Allemand F, Gelin M, Cotelle P, Woo S, LaPlante SR, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Guichou JF, Annabi B, Gagnon A

Bioorg Med Chem Lett. 129488. doi: 10.1016/j.bmcl.2023.129488

Publication date: September 26, 2023

PMID: 37770003

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

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

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