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Paul A, Kumar S, Kaoud TS, Pickett MR, Bohanon AL, Zoldan J, Dalby KN, Parekh SH. Biomechanical Dependence of SARS-CoV-2 Infections. ACS Appl Bio Mater. 2022 May 16;5(5):2307-2315. doi: 10.1021/acsabm.2c00143. Epub 2022 Apr 29. PubMed PMID: 35486915; PubMed Central PMCID: PMC9063985.
Perry-Hauser NA, Hopkins JB, Zhuo Y, Zheng C, Perez I, Schultz KM, Vishnivetskiy SA, Kaya AI, Sharma P, Dalby KN, Chung KY, Klug CS, Gurevich VV, Iverson TM. The Two Non-Visual Arrestins Engage ERK2 Differently. J Mol Biol. 2022 Apr 15;434(7):167465. doi: 10.1016/j.jmb.2022.167465. Epub 2022 Jan 22. PubMed PMID: 35077767; PubMed Central PMCID: PMC8977243.
Thomas PW, Cho EJ, Bethel CR, Smisek T, Ahn YC, Schroeder JM, Thomas CA, Dalby KN, Beckham JT, Crowder MW, Bonomo RA, Fast W. Discovery of an Effective Small-Molecule Allosteric Inhibitor of New Delhi Metallo-β-lactamase (NDM). ACS Infect Dis. 2022 Apr 8;8(4):811-824. doi: 10.1021/acsinfecdis.1c00577. Epub 2022 Mar 30. PubMed PMID: 35353502.
Zeng L, Kaoud TS, Zamora-Olivares D, Bohanon AL, Li Y, Pridgen JR, Ekpo YE, Zhuang DL, Nye JR, Telles M, Winkler M, Rivera S, Marini F, Dalby KN, Anslyn EV. Multiplexing the Quantitation of MAP Kinase Activities Using Differential Sensing. J Am Chem Soc. 2022 Mar 9;144(9):4017-4025. doi: 10.1021/jacs.1c12757. Epub 2022 Feb 23. PubMed PMID: 35195411.
Scheele RA, Lindenburg LH, Petek M, Schober M, Dalby KN, Hollfelder F. Droplet-based screening of phosphate transfer catalysis reveals how epistasis shapes MAP kinase interactions with substrates. Nat Commun. 2022 Feb 11;13(1):844. doi: 10.1038/s41467-022-28396-4. PubMed PMID: 35149678; PubMed Central PMCID: PMC8837617.
Semba T, Wang X, Xie X, Cohen EN, Reuben JM, Dalby KN, Long JP, Phi LTH, Tripathy D, Ueno NT. Identification of the JNK-Active Triple-Negative Breast Cancer Cluster Associated With an Immunosuppressive Tumor Microenvironment. J Natl Cancer Inst. 2022 Jan 11;114(1):97-108. doi: 10.1093/jnci/djab128. PubMed PMID: 34250544; PubMed Central PMCID: PMC8755499.
Javanmardi K, Chou CW, Terrace CI, Annapareddy A, Kaoud TS, Guo Q, Lutgens J, Zorkic H, Horton AP, Gardner EC, Nguyen G, Boutz DR, Goike J, Voss WN, Kuo HC, Dalby KN, Gollihar JD, Finkelstein IJ. Rapid characterization of spike variants via mammalian cell surface display. Mol Cell. 2021 Dec 16;81(24):5099-5111.e8. doi: 10.1016/j.molcel.2021.11.024. PubMed PMID: 34919820; PubMed Central PMCID: PMC8675084.
Ramadan M, A M M Elshaier Y, Aly AA, Abdel-Aziz M, Fathy HM, Brown AB, Pridgen JR, Dalby KN, Kaoud TS. Development of 2'-aminospiro [pyrano[3,2-c]quinoline]-3'-carbonitrile derivatives as non-ATP competitive Src kinase inhibitors that suppress breast cancer cell migration and proliferation. Bioorg Chem. 2021 Nov;116:105344. doi: 10.1016/j.bioorg.2021.105344. Epub 2021 Sep 20. PubMed PMID: 34598088.
Cho EJ, Dalby KN. Luminescence Energy Transfer-Based Screening and Target Engagement Approaches for Chemical Biology and Drug Discovery. SLAS Discov. 2021 Sep;26(8):984-994. doi: 10.1177/24725552211036056. Epub 2021 Jul 30. PubMed PMID: 34330171.
Piserchio A, Long K, Lee K, Kumar EA, Abzalimov R, Dalby KN, Ghose R. Structural dynamics of the complex of calmodulin with a minimal functional construct of eukaryotic elongation factor 2 kinase and the role of Thr348 autophosphorylation. Protein Sci. 2021 Jun;30(6):1221-1234. doi: 10.1002/pro.4087. Epub 2021 May 5. PubMed PMID: 33890716; PubMed Central PMCID: PMC8138526.
Mohiuddin IS, Wei SJ, Yang IH, Martinez GM, Yang S, Cho EJ, Dalby KN, Kang MH. Development of cell-based high throughput luminescence assay for drug discovery in inhibiting OCT4/DNA-PKcs and OCT4-MK2 interactions. Biotechnol Bioeng. 2021 May;118(5):1987-2000. doi: 10.1002/bit.27712. Epub 2021 Mar 1. PubMed PMID: 33565603; PubMed Central PMCID: PMC8597627.
Guo HF, Bota-Rabassedas N, Terajima M, Leticia Rodriguez B, Gibbons DL, Chen Y, Banerjee P, Tsai CL, Tan X, Liu X, Yu J, Tokmina-Roszyk M, Stawikowska R, Fields GB, Miller MD, Wang X, Lee J, Dalby KN, Creighton CJ, Phillips GN Jr, Tainer JA, Yamauchi M, Kurie JM. A collagen glucosyltransferase drives lung adenocarcinoma progression in mice. Commun Biol. 2021 Apr 19;4(1):482. doi: 10.1038/s42003-021-01982-w. PubMed PMID: 33875777; PubMed Central PMCID: PMC8055892.
Cho EJ, Devkota AK, Stancu G, Edupunganti R, Debevec G, Giulianotti M, Houghten R, Powis G, Dalby KN. A Robust and Cost-Effective Luminescent-Based High-Throughput Assay for Fructose-1,6-Bisphosphate Aldolase A. SLAS Discov. 2020 Oct;25(9):1038-1046. doi: 10.1177/2472555220926146. Epub 2020 May 28. PubMed PMID: 32462959.
Ghose R. Keep a lid on it: A troika in kinase allostery. J Biol Chem. 2020 Jun 19;295(25):8492-8493. doi: 10.1074/jbc.H120.014383. PubMed PMID: 32561554; PubMed Central PMCID: PMC7307211.
Gagliardi M, Pitner MK, Park J, Xie X, Saso H, Larson RA, Sammons RM, Chen H, Wei C, Masuda H, Chauhan G, Kondo K, Tripathy D, Ueno NT, Dalby KN, Debeb BG, Bartholomeusz C. Differential functions of ERK1 and ERK2 in lung metastasis processes in triple-negative breast cancer. Sci Rep. 2020 May 22;10(1):8537. doi: 10.1038/s41598-020-65250-3. PubMed PMID: 32444778; PubMed Central PMCID: PMC7244517.
Crittenden CM, Novelli ET, Mehaffey MR, Xu GN, Giles DH, Fies WA, Dalby KN, Webb LJ, Brodbelt JS. Structural Evaluation of Protein/Metal Complexes via Native Electrospray Ultraviolet Photodissociation Mass Spectrometry. J Am Soc Mass Spectrom. 2020 May 6;31(5):1140-1150. doi: 10.1021/jasms.0c00066. Epub 2020 Apr 21. PubMed PMID: 32275426; PubMed Central PMCID: PMC7386362.
Semba T, Sammons R, Wang X, Xie X, Dalby KN, Ueno NT. JNK Signaling in Stem Cell Self-Renewal and Differentiation. Int J Mol Sci. 2020 Apr 9;21(7). doi: 10.3390/ijms21072613. Review. PubMed PMID: 32283767; PubMed Central PMCID: PMC7177258.
Del Mundo IMA, Cho EJ, Dalby KN, Vasquez KM. A 'light-up' intercalator displacement assay for detection of triplex DNA stabilizers. Chem Commun (Camb). 2020 Feb 13;56(13):1996-1999. doi: 10.1039/c9cc08817b. PubMed PMID: 31960843; PubMed Central PMCID: PMC7323859.
Zamora-Olivares D, Kaoud TS, Zeng L, Pridgen JR, Zhuang DL, Ekpo YE, Nye JR, Telles M, Anslyn EV, Dalby KN. Quantification of ERK Kinase Activity in Biological Samples Using Differential Sensing. ACS Chem Biol. 2020 Jan 17;15(1):83-92. doi: 10.1021/acschembio.9b00580. Epub 2019 Dec 16. PubMed PMID: 31775004; PubMed Central PMCID: PMC7085986.
Kaoud TS, Mohassab AM, Hassan HA, Yan C, Van Ravenstein SX, Abdelhamid D, Dalby KN, Abdel-Aziz M. NO-releasing STAT3 inhibitors suppress BRAF-mutant melanoma growth. Eur J Med Chem. 2020 Jan 15;186:111885. doi: 10.1016/j.ejmech.2019.111885. Epub 2019 Nov 14. PubMed PMID: 31784187.
Lee K, Kumar EA, Dalby KN, Ghose R. The role of calcium in the interaction between calmodulin and a minimal functional construct of eukaryotic elongation factor 2 kinase. Protein Sci. 2019 Dec;28(12):2089-2098. doi: 10.1002/pro.3753. PubMed PMID: 31626716; PubMed Central PMCID: PMC6863733.
Kaoud TS, Johnson WH, Ebelt ND, Piserchio A, Zamora-Olivares D, Van Ravenstein SX, Pridgen JR, Edupuganti R, Sammons R, Cano M, Warthaka M, Harger M, Tavares CDJ, Park J, Radwan MF, Ren P, Anslyn EV, Tsai KY, Ghose R, Dalby KN. Modulating multi-functional ERK complexes by covalent targeting of a recruitment site in vivo. Nat Commun. 2019 Nov 19;10(1):5232. doi: 10.1038/s41467-019-12996-8. PubMed PMID: 31745079; PubMed Central PMCID: PMC6863825.
Sammons RM, Ghose R, Tsai KY, Dalby KN. Targeting ERK beyond the boundaries of the kinase active site in melanoma. Mol Carcinog. 2019 Sep;58(9):1551-1570. doi: 10.1002/mc.23047. Epub 2019 Jun 12. Review. PubMed PMID: 31190430; PubMed Central PMCID: PMC7107758.
Del Mundo IMA, Cho EJ, Dalby KN, Vasquez KM. A tunable assay for modulators of genome-destabilizing DNA structures. Nucleic Acids Res. 2019 Jul 26;47(13):e73. doi: 10.1093/nar/gkz237. PubMed PMID: 30949695; PubMed Central PMCID: PMC6648359.
Du L, Anderson A, Nguyen K, Ojeda SS, Ortiz-Rivera I, Nguyen TN, Zhang T, Kaoud TS, Gray NS, Dalby KN, Tsai KY. JNK2 Is Required for the Tumorigenic Properties of Melanoma Cells. ACS Chem Biol. 2019 Jul 19;14(7):1426-1435. doi: 10.1021/acschembio.9b00083. Epub 2019 May 17. PubMed PMID: 31063355; PubMed Central PMCID: PMC7181303.
Qi R, Walker B, Jing Z, Yu M, Stancu G, Edupuganti R, Dalby KN, Ren P. Computational and Experimental Studies of Inhibitor Design for Aldolase A. J Phys Chem B. 2019 Jul 18;123(28):6034-6041. doi: 10.1021/acs.jpcb.9b04551. Epub 2019 Jul 3. PubMed PMID: 31268712; PubMed Central PMCID: PMC6935369.
Sammons RM, Perry NA, Li Y, Cho EJ, Piserchio A, Zamora-Olivares DP, Ghose R, Kaoud TS, Debevec G, Bartholomeusz C, Gurevich VV, Iverson TM, Giulianotti M, Houghten RA, Dalby KN. A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation. ACS Chem Biol. 2019 Jun 21;14(6):1183-1194. doi: 10.1021/acschembio.9b00093. Epub 2019 May 13. PubMed PMID: 31058487; PubMed Central PMCID: PMC7105935.
Veloria J, Shin M, Devkota AK, Payne SM, Cho EJ, Dalby KN. Developing Colorimetric and Luminescence-Based High-Throughput Screening Platforms for Monitoring the GTPase Activity of Ferrous Iron Transport Protein B (FeoB). SLAS Discov. 2019 Jun;24(5):597-605. doi: 10.1177/2472555219844572. Epub 2019 Apr 30. PubMed PMID: 31039677; PubMed Central PMCID: PMC6714053.
Harger M, Lee JH, Walker B, Taliaferro JM, Edupuganti R, Dalby KN, Ren P. Computational insights into the binding of IN17 inhibitors to MELK. J Mol Model. 2019 May 8;25(6):151. doi: 10.1007/s00894-019-4036-1. PubMed PMID: 31069524; PubMed Central PMCID: PMC7105934.
Hassan AA, Aly AA, Mohamed NK, El Shaieb KM, Makhlouf MM, Abdelhafez EMN, Bräse S, Nieger M, Dalby KN, Kaoud TS. Design, synthesis, and DNA interaction studies of furo-imidazo[3.3.3]propellane derivatives: Potential anticancer agents. Bioorg Chem. 2019 Apr;85:585-599. doi: 10.1016/j.bioorg.2019.02.027. Epub 2019 Feb 13. PubMed PMID: 30878891; PubMed Central PMCID: PMC6543821.
Devkota AK, Veloria JR, Guo HF, Kurie JM, Cho EJ, Dalby KN. Development of a High-Throughput Lysyl Hydroxylase (LH) Assay and Identification of Small-Molecule Inhibitors against LH2. SLAS Discov. 2019 Apr;24(4):484-491. doi: 10.1177/2472555218817057. Epub 2018 Dec 27. PubMed PMID: 30589612; PubMed Central PMCID: PMC6535306.
Aly AA, El-Sheref EM, Bakheet MEM, Mourad MAE, Bräse S, Ibrahim MAA, Nieger M, Garvalov BK, Dalby KN, Kaoud TS. Design, synthesis and biological evaluation of fused naphthofuro[3,2-c] quinoline-6,7,12-triones and pyrano[3,2-c]quinoline-6,7,8,13-tetraones derivatives as ERK inhibitors with efficacy in BRAF-mutant melanoma. Bioorg Chem. 2019 Feb;82:290-305. doi: 10.1016/j.bioorg.2018.10.044. Epub 2018 Oct 23. PubMed PMID: 30396063; PubMed Central PMCID: PMC6543826.
Perry NA, Kaoud TS, Ortega OO, Kaya AI, Marcus DJ, Pleinis JM, Berndt S, Chen Q, Zhan X, Dalby KN, Lopez CF, Iverson TM, Gurevich VV. Arrestin-3 scaffolding of the JNK3 cascade suggests a mechanism for signal amplification. Proc Natl Acad Sci U S A. 2019 Jan 15;116(3):810-815. doi: 10.1073/pnas.1819230116. Epub 2018 Dec 27. PubMed PMID: 30591558; PubMed Central PMCID: PMC6338856.
Will N, Lee K, Hajredini F, Giles DH, Abzalimov RR, Clarkson M, Dalby KN, Ghose R. Structural Dynamics of the Activation of Elongation Factor 2 Kinase by Ca2+-Calmodulin. J Mol Biol. 2018 Aug 17;430(17):2802-2821. doi: 10.1016/j.jmb.2018.05.033. Epub 2018 May 22. PubMed PMID: 29800565; PubMed Central PMCID: PMC6474356.
Guo HF, Tsai CL, Terajima M, Tan X, Banerjee P, Miller MD, Liu X, Yu J, Byemerwa J, Alvarado S, Kaoud TS, Dalby KN, Bota-Rabassedas N, Chen Y, Yamauchi M, Tainer JA, Phillips GN Jr, Kurie JM. Author Correction: Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun. 2018 Jul 10;9(1):2719. doi: 10.1038/s41467-018-05295-1. PubMed PMID: 29988035; PubMed Central PMCID: PMC6039523.
Qi R, Jing Z, Liu C, Piquemal JP, Dalby KN, Ren P. Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution. J Phys Chem B. 2018 Jun 21;122(24):6371-6376. doi: 10.1021/acs.jpcb.8b03194. Epub 2018 Jun 11. PubMed PMID: 29807433; PubMed Central PMCID: PMC6173968.
Veloria JR, Devkota AK, Cho EJ, Dalby KN. Development of a cost effective and robust AlphaScreen® platform for application. Biotechniques. 2018 Apr;64(4):181-183. doi: 10.2144/btn-2018-2001. PubMed PMID: 29661010.
Guo HF, Tsai CL, Terajima M, Tan X, Banerjee P, Miller MD, Liu X, Yu J, Byemerwa J, Alvarado S, Kaoud TS, Dalby KN, Bota-Rabassedas N, Chen Y, Yamauchi M, Tainer JA, Phillips GN Jr, Kurie JM. Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun. 2018 Feb 6;9(1):512. doi: 10.1038/s41467-018-02859-z. PubMed PMID: 29410444; PubMed Central PMCID: PMC5802723.
Cho EJ, Devkota AK, Stancu G, Edupunganti R, Powis G, Dalby KN. A Fluorescence-Based High-Throughput Assay for the Identification of Anticancer Reagents Targeting Fructose-1,6-Bisphosphate Aldolase. SLAS Discov. 2018 Jan;23(1):1-10. doi: 10.1177/2472555217726325. Epub 2017 Aug 18. PubMed PMID: 28820953.
Mohassab AM, Hassan HA, Abdelhamid D, Abdel-Aziz M, Dalby KN, Kaoud TS. Novel quinoline incorporating 1,2,4-triazole/oxime hybrids: Synthesis, molecular docking, anti-inflammatory, COX inhibition, ulceroginicity and histopathological investigations. Bioorg Chem. 2017 Dec;75:242-259. doi: 10.1016/j.bioorg.2017.09.018. Epub 2017 Sep 30. PubMed PMID: 29032325.
Ebelt ND, Kaoud TS, Edupuganti R, Van Ravenstein S, Dalby KN, Van Den Berg CL. A c-Jun N-terminal kinase inhibitor, JNK-IN-8, sensitizes triple negative breast cancer cells to lapatinib. Oncotarget. 2017 Dec 1;8(62):104894-104912. doi: 10.18632/oncotarget.20581. eCollection 2017 Dec 1. PubMed PMID: 29285221; PubMed Central PMCID: PMC5739608.
Jose J, Tavares CDJ, Ebelt ND, Lodi A, Edupuganti R, Xie X, Devkota AK, Kaoud TS, Van Den Berg CL, Anslyn EV, Tiziani S, Bartholomeusz C, Dalby KN. Serotonin Analogues as Inhibitors of Breast Cancer Cell Growth. ACS Med Chem Lett. 2017 Oct 12;8(10):1072-1076. doi: 10.1021/acsmedchemlett.7b00282. eCollection 2017 Oct 12. PubMed PMID: 29057053; PubMed Central PMCID: PMC5641961.
Pitner MK, Taliaferro JM, Dalby KN, Bartholomeusz C. MELK: a potential novel therapeutic target for TNBC and other aggressive malignancies. Expert Opin Ther Targets. 2017 Sep;21(9):849-859. doi: 10.1080/14728222.2017.1363183. Epub 2017 Aug 16. Review. PubMed PMID: 28764577.
Piserchio A, Warthaka M, Kaoud TS, Callaway K, Dalby KN, Ghose R. Local destabilization, rigid body, and fuzzy docking facilitate the phosphorylation of the transcription factor Ets-1 by the mitogen-activated protein kinase ERK2. Proc Natl Acad Sci U S A. 2017 Aug 1;114(31):E6287-E6296. doi: 10.1073/pnas.1702973114. Epub 2017 Jul 17. PubMed PMID: 28716922; PubMed Central PMCID: PMC5547609.
Xie X, Kaoud TS, Edupuganti R, Zhang T, Kogawa T, Zhao Y, Chauhan GB, Giannoukos DN, Qi Y, Tripathy D, Wang J, Gray NS, Dalby KN, Bartholomeusz C, Ueno NT. c-Jun N-terminal kinase promotes stem cell phenotype in triple-negative breast cancer through upregulation of Notch1 via activation of c-Jun. Oncogene. 2017 May 4;36(18):2599-2608. doi: 10.1038/onc.2016.417. Epub 2016 Dec 12. PubMed PMID: 27941886; PubMed Central PMCID: PMC6116358.
Edupuganti R, Taliaferro JM, Wang Q, Xie X, Cho EJ, Vidhu F, Ren P, Anslyn EV, Bartholomeusz C, Dalby KN. Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth. Bioorg Med Chem. 2017 May 1;25(9):2609-2616. doi: 10.1016/j.bmc.2017.03.018. Epub 2017 Mar 10. PubMed PMID: 28351607.
Guo HF, Cho EJ, Devkota AK, Chen Y, Russell W, Phillips GN Jr, Yamauchi M, Dalby KN, Kurie JM. A scalable lysyl hydroxylase 2 expression system and luciferase-based enzymatic activity assay. Arch Biochem Biophys. 2017 Mar 15;618:45-51. doi: 10.1016/j.abb.2017.02.003. Epub 2017 Feb 20. PubMed PMID: 28216326; PubMed Central PMCID: PMC5619865.
Tavares CDJ, Giles DH, Stancu G, Chitjian CA, Ferguson SB, Wellmann RM, Kaoud TS, Ghose R, Dalby KN. Signal Integration at Elongation Factor 2 Kinase: THE ROLES OF CALCIUM, CALMODULIN, AND SER-500 PHOSPHORYLATION. J Biol Chem. 2017 Feb 3;292(5):2032-2045. doi: 10.1074/jbc.M116.753277. Epub 2016 Dec 12. PubMed PMID: 27956550; PubMed Central PMCID: PMC5290972.
Veloria JR, Devkota AK, Cho EJ, Dalby KN. Optimization of a Luminescence-Based High-Throughput Screening Assay for Detecting Apyrase Activity. SLAS Discov. 2017 Jan;22(1):94-101. doi: 10.1177/1087057116675859. Epub 2016 Nov 10. PubMed PMID: 27821623.
Will N, Piserchio A, Snyder I, Ferguson SB, Giles DH, Dalby KN, Ghose R. Structure of the C-Terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase. Biochemistry. 2016 Sep 27;55(38):5377-86. doi: 10.1021/acs.biochem.6b00711. Epub 2016 Sep 14. PubMed PMID: 27571275; PubMed Central PMCID: PMC5266509.
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