Publications
Kapadia K, Trojniak AE, Guzmán Rodríguez KB, Klus NJ, Huntley C, McDonald P, Roy A, Frankowski KJ, Aubé J, Muma NA. Small-Molecule Disruptors of Mutant Huntingtin-Calmodulin Protein-Protein Interaction Attenuate Deleterious Effects of Mutant Huntingtin. ACS Chem Neurosci. 2022 Jul 14;. doi: 10.1021/acschemneuro.2c00305. [Epub ahead of print] PubMed PMID: 35833925.
Kaur S, Nieto NS, McDonald P, Beck JR, Honzatko RB, Roy A, Nelson SW. Discovery of small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase. J Enzyme Inhib Med Chem. 2022 Dec;37(1):1320-1326. doi: 10.1080/14756366.2022.2070909. PubMed PMID: 35514163; PubMed Central PMCID: PMC9090415.
Sherrill LM, Joya EE, Walker A, Roy A, Alhammad YM, Atobatele M, Wazir S, Abbas G, Keane P, Zhuo J, Leung AKL, Johnson DK, Lehtiö L, Fehr AR, Ferraris D. Design, synthesis and evaluation of inhibitors of the SARS-CoV-2 nsp3 macrodomain. Bioorg Med Chem. 2022 Aug 1;67:116788. doi: 10.1016/j.bmc.2022.116788. Epub 2022 May 11. PubMed PMID: 35597097; PubMed Central PMCID: PMC9093066.
Roy A, Alhammad YM, McDonald P, Johnson DK, Zhuo J, Wazir S, Ferraris D, Lehtiö L, Leung AKL, Fehr AR. Discovery of compounds that inhibit SARS-CoV-2 Mac1-ADP-ribose binding by high-throughput screening. Antiviral Res. 2022 Jul;203:105344. doi: 10.1016/j.antiviral.2022.105344. Epub 2022 May 19. PubMed PMID: 35598780; PubMed Central PMCID: PMC9119168.
Hasan MK, El Qaidi S, McDonald P, Roy A, Hardwidge PR. Repurposing Avasimibe to Inhibit Bacterial Glycosyltransferases. Pathogens. 2022 Mar 17;11(3). doi: 10.3390/pathogens11030370. PubMed PMID: 35335693; PubMed Central PMCID: PMC8953086.
Ning K, Roy A, Cheng F, Xu P, Kleiboeker S, Escalante CR, Wang J, Qiu J. High-Throughput Screening Identifies Inhibitors for Parvovirus B19 Infection of Human Erythroid Progenitors. J Virol. 2022 Jan 26;96(2):e0132621. doi: 10.1128/JVI.01326-21. Epub 2021 Oct 20. PubMed PMID: 34669461; PubMed Central PMCID: PMC8791288
Zhu C, El Qaidi S, McDonald P, Roy A, Hardwidge PR. YM155 Inhibits NleB and SseK Arginine Glycosyltransferase Activity. Pathogens. 2021 Feb 23;10(2). doi: 10.3390/pathogens10020253. PubMed PMID: 33672424; PubMed Central PMCID: PMC7926936.
Alhammad YMO, Kashipathy MM, Roy A, Gagné JP, McDonald P, Gao P, Nonfoux L, Battaile KP, Johnson DK, Holmstrom ED, Poirier GG, Lovell S, Fehr AR. The SARS-CoV-2 Conserved Macrodomain Is a Mono-ADP-Ribosylhydrolase. J Virol. 2021 Jan 13;95(3). doi: 10.1128/JVI.01969-20. Print 2021 Jan 13. PubMed PMID: 33158944; PubMed Central PMCID: PMC7925111
Chitsike L., Yuan C., Roy A., Boyle K., Duerksen-Hughes P. J. A high-content AlphaScreen™ identifies E6-specific small molecule inhibitors as potential therapeutics for HPV+ head and neck squamous cell carcinomas. Oncotarget. 2021; 12: 549-561.
Roy, A. (2021). High-Throughput Screening (HTS) Technology. In: Offermanns, S., Rosenthal, W. (eds)
Encyclopedia of Molecular Pharmacology. Springer, Cham. https://doi.org/10.1007/978-3-030-57401-7_73
Glaza P, Ranaweera CB, Shiva S, Roy A, Geisbrecht BV, Schoenen FJ, Zolkiewski M. Repurposing p97 inhibitors for chemical modulation of the bacterial ClpB/DnaK bi-chaperone system. J Biol Chem. 2020 Nov 13;. doi: 10.1074/jbc.RA120.015413. [Epub ahead of print] PubMed PMID: 33187983; PubMed Central PMCID: PMC7948422.Ho KV,
Ho KV, Roy A, Foote S, Vo PH, Lall N, Lin CH. Profiling Anticancer and Antioxidant Activities of Phenolic Compounds Present in Black Walnuts (Juglans nigra) Using a High-Throughput Screening Approach. Molecules. 2020 Oct 2;25(19). doi: 10.3390/molecules25194516. PubMed PMID: 33023106; PubMed Central PMCID: PMC7583942
Lan L, Liu J, Xing M, Smith AR, Wang J, Wu X, Appelman C, Li K, Roy A, Gowthaman R, Karanicolas J, Somoza AD, Wang CCC, Miao Y, De Guzman R, Oakley BR, Neufeld KL, Xu L. Identification and Validation of an Aspergillus nidulans Secondary Metabolite Derivative as an Inhibitor of the Musashi-RNA Interaction. Cancers (Basel). 2020 Aug 8;12(8). doi: 10.3390/cancers12082221. PubMed PMID: 32784494; PubMed Central PMCID: PMC7463734.
Peng C, Zhou Y, Cao S, Pant A, Campos Guerrero ML, McDonald P, Roy A, Yang Z. Identification of Vaccinia Virus Inhibitors and Cellular Functions Necessary for Efficient Viral Replication by Screening Bioactives and FDA-Approved Drugs. Vaccines (Basel). 2020 Jul 21;8(3). doi: 10.3390/vaccines8030401. PubMed PMID: 32708182; PubMed Central PMCID: PMC7564539.
Klus NJ, Kapadia K, McDonald P, Roy A, Frankowski KJ, Muma NA, Aubé J. Discovery of sultam-containing small-molecule disruptors of the huntingtin-calmodulin protein-protein interaction. Med Chem Res. 2020 Jul;29(7):1187-1198. doi: 10.1007/s00044-020-02583-8. Epub 2020 Jun 12. PubMed PMID: 33642842; PubMed Central PMCID: PMC7906539.
Perry JM, Tao F, Roy A, Lin T, He XC, Chen S, Lu X, Nemechek J, Ruan L, Yu X, Dukes D, Moran A, Pace J, Schroeder K, Zhao M, Venkatraman A, Qian P, Li Z, Hembree M, Paulson A, He Z, Xu D, Tran TH, Deshmukh P, Nguyen CT, Kasi RM, Ryan R, Broward M, Ding S, Guest E, August K, Gamis AS, Godwin A, Sittampalam GS, Weir SJ, Li L. Overcoming Wnt-β-catenin dependent anticancer therapy resistance in leukaemia stem cells. Nat Cell Biol. 2020 Jun;22(6):689-700. doi: 10.1038/s41556-020-0507-y. Epub 2020 Apr 20. PubMed PMID: 32313104; PubMed Central PMCID: PMC8010717.
Alhammad YMO, Kashipathy MM, Roy A, Gagné JP, McDonald P, Gao P, Nonfoux L, Battaile KP, Johnson DK, Holmstrom ED, Poirier GG, Lovell S, Fehr AR. The SARS-CoV-2 conserved macrodomain is a highly efficient ADP-ribosylhydrolase enzyme. bioRxiv. 2020 May 12;. doi: 10.1101/2020.05.11.089375. PubMed PMID: 32511412; PubMed Central PMCID: PMC7263559
Deschamps T, Waisner H, Dogrammatzis C, Roy A, Chacko S, Perera C, Prisinzano TE, Kalamvoki M. Discovery of Small-Molecule Inhibitors Targeting the E3 Ubiquitin Ligase Activity of the Herpes Simplex Virus 1 ICP0 Protein Using an In Vitro High-Throughput Screening Assay. J Virol. 2019 Jul 1;93(13). doi: 10.1128/JVI.00619-19. Print 2019 Jul 1. PubMed PMID: 30996104; PubMed Central PMCID: PMC6580980.
Anuradha Roy*, Peter McDonald, Barbara N. Timmermann, Mahabir Gupta and Rathnam Chaguturu. Bioactivity Profiling of Plant Biodiversity of Panama by High Throughput Screening. (2019) 14(1): 71-74. *Corresponding Author.
Samir EQ, Congrui Z, McDonald P, Roy A, Maity PK, Digamber R, Perera C, Hardwidge PR.High-Throughput Screening for Bacterial Glycosyltransferase Inhibitors.Front. Cell. Infect. Microbiol., 18 December 2018
Parrales A, McDonald P, Ottomeyer M, Roy A, Shoenen FJ, Broward M, Bruns T, Thamm DH, Weir SJ, Neville KA, Iwakuma T, Fulbright JM. Comparative oncology approach to drug repurposing in osteosarcoma. PLoS One. 2018 Mar 26;13(3):e0194224. doi: 10.1371/journal.pone.0194224. eCollection 2018. PubMed PMID: 29579058; PubMed Central PMCID: PMC5868798.
Kfoury N, Sun T, Yu K, Rockwell N, Tinkum KL, Qi Z, Warrington NM, McDonald P, Roy A, Weir SJ, Mohila CA, Deneen B, Rubin JB. Cooperative p16 and p21 action protects female astrocytes from transformation. Acta Neuropathol Commun. 2018 Feb 20;6(1):12. doi: 10.1186/s40478-018-0513-5. PubMed PMID: 29458417; PubMed Central PMCID: PMC5819173.
Vaidya A, Roy A, Chaguturu R. How to rekindle drug discovery process through integrative therapeutic targeting? Expert Opin Drug Discov. 2018 Oct;13(10):893-898. doi: 10.1080/17460441.2018.1514010. Epub 2018 Aug 27. PubMed PMID: 30146919.
Komiya T, Yamamoto S, Roy A, McDonald P, Perez RP. Drug screening to target nuclear orphan receptor NR4A2 for cancer therapeutics. Transl Lung Cancer Res. 2017 Oct;6(5):600-610. doi: 10.21037/tlcr.2017.07.02. PubMed PMID: 29114475; PubMed Central PMCID: PMC5653521.
Yu J, Lan L, Lewin SJ, Rogers SA, Roy A, Wu X, Gao P, Karanicolas J, Aubé J, Sun B, Xu L. Identification of novel small molecule Beclin 1 mimetics activating
autophagy. Oncotarget. 2017 May 18;8(31):51355-51369. doi: 10.18632/oncotarget.17977. eCollection 2017 Aug 1. PubMed PMID: 28881653; PubMed Central PMCID: PMC5584254'
Roy A, Mir MA. Development of High-Throughput Screening Assay for Antihantaviral Therapeutics. SLAS Discov. 2017 Jul;22(6):767-774. doi:10.1177/2472555217699942. Epub 2017 Mar 24. PubMed PMID: 28340538; PubMed Central PMCID: PMC5854180.
Nairn BL, Eliasson OS, Hyder DR, Long NJ, Majumdar A, Chakravorty S, McDonald P, Roy A, Newton SM, Klebba PE. Fluorescence High-Throughput Screening for Inhibitors of TonB Action. J Bacteriol. 2017 Apr 25;199(10). pii: e00889-16. doi:10.1128/JB.00889-16. Print 2017 May 15. PubMed PMID: 28242720; PubMed Central PMCID: PMC5405212.
Parrales A, Ranjan A, Iyer SV, Padhye S, Weir SJ, Roy A, Iwakuma T. DNAJA1 controls the fate of misfolded mutant p53 through the mevalonate pathway. Nat Cell Biol. 2016 Nov;18(11):1233-1243. doi: 10.1038/ncb3427. Epub 2016 Oct 24.PubMed PMID: 27775703; PubMed Central PMCID: PMC5340314.
Polireddy K, Dong R, McDonald PR, Wang T, Luke B, Chen P, Broward M, Roy A, Chen Q. Targeting Epithelial-Mesenchymal Transition for Identification of Inhibitors for Pancreatic Cancer Cell Invasion and Tumor Spheres Formation. PLoS One. 2016 Oct 20;11(10):e0164811. doi: 10.1371/journal.pone.0164811. eCollection2016. PubMed PMID: 27764163; PubMed Central PMCID: PMC5072586.
Salim NN, Ganaie SS, Roy A, Jeeva S, Mir MA. Targeting a Novel RNA-Protein Interaction for Therapeutic Intervention of Hantavirus Disease. J Biol Chem. 2016 Nov 18;291(47):24702-24714. Epub 2016 Oct 12. PubMed PMID: 27733686; PubMed Central PMCID: PMC5114419.
Budiardjo SJ, Licknack TJ, Cory MB, Kapros D, Roy A, Lovell S, Douglas J, Karanicolas J. Full and Partial Agonism of a Designed Enzyme Switch. ACS Synth Biol. 2016 Dec 16;5(12):1475-1484. Epub 2016 Jul 22. PubMed PMID: 27389009;PubMed Central PMCID: PMC5161622.
Valasani KR, Sun Q, Fang D, Zhang Z, Yu Q, Guo Y, Li J, Roy A, ShiDu Yan S. Identification of a Small Molecule Cyclophilin D Inhibitor for Rescuing Aβ-Mediated Mitochondrial Dysfunction. ACS Med Chem Lett. 2016 Jan 6;7(3):294-9. doi: 10.1021/acsmedchemlett.5b00451. eCollection 2016 Mar 10. PubMed PMID: 26985318; PubMed Central PMCID: PMC4789676.
Gowthaman R, Miller SA, Rogers S, Khowsathit J, Lan L, Bai N, Johnson DK, Liu C, Xu L, Anbanandam A, Aubé J, Roy A, Karanicolas J. DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites. J Med Chem. 2016 May 12;59(9):4152-70. doi: 10.1021/acs.jmedchem.5b00150.Epub 2015 Jul 10. PubMed PMID: 26126123; PubMed Central PMCID: PMC4707132.
Roy A, Patwardhan B, Chaguturu R. Re-igniting pharmaceutical innovation through holistic drug targeting. Drug Discovery World. Summer 2016; :45-55.
Roy A, Chaguturu R. Holistic Drug Targeting.Chapter 3,; p.65-88. Patwardhan, B, Chaguturu, R. 2016 (Ed). Innovative Approaches in Drug Discovery: Ethnopharmacology, Systems Biology and Holistic Targeting. Elsevier Science Academic Press, 2016 ISBN 0128018224.
Lan L, Appelman C, Smith AR, Yu J, Larsen S, Marquez RT, Liu H, Wu X, Gao P, Roy A, Anbanandam A, Gowthaman R, Karanicolas J, De Guzman RN, Rogers S, Aubé J, Ji M, Cohen RS, Neufeld KL, Xu L. Natural product (-)-gossypol inhibits colon cancer cell growth by targeting RNA-binding protein Musashi-1. Molecular oncology. 2015; 9(7):1406-20. NIHMSID: NIHMS685755 PubMed [journal] PMID: 25933687, PMCID:PMC4523432.
Wu X, Lan L, Wilson DM, Marquez RT, Tsao WC, Gao P, Roy A, Turner BA, McDonald P, Tunge JA, Rogers SA, Dixon DA, Aubé J, Xu L. Identification and validation of novel small molecule disruptors of HuR-mRNA interaction. ACS chemical biology. 2015; 10(6):1476-84. NIHMSID: NIHMS708525 PubMed [journal] PMID: 25750985, PMCID: PMC4631057
Meneely KM, Luo Q, Riley AP, Taylor B, Roy A, Stein RL, Prisinzano TE, Lamb AL. Expanding the results of a high throughput screen against an isochorismate-pyruvate lyase to enzymes of a similar scaffold or mechanism. Bioorganic & medicinal chemistry. 2014; 22(21):5961-9. NIHMSID: NIHMS628873 PubMed [journal] PMID: 25282647, PMCID: PMC4254016
McDonald P, Roy A. Assays for identification of small molecule activators of Nrf2-Mediated Antioxidant Response Element (ARE). European Pharmaceutical Review. 2014 December; (6):42-46.
Roy A. High throughput screening operations at the University of Kansas. Combinatorial chemistry & high throughput screening. 2014; 17(4):387-93. PubMed [journal] PMID: 24661207
Roy A, Lushington GH, McGee J, Chaguturu R. Assay technologies for proteases (2014). Enzyme Technologies: Pluripotent Players in Discovering Therapeutic Agents.. First ed. Yang H, Yeh W, McCarthy JR, editors. Hoboken, New Jersey: John Wiley & Sons, Inc; 2014. Chapter 1; p.3-53.
Diaz FJ, McDonald PR, Chaguturu R, Pinter A (2014) Measuring and statistically testing the size of the effect of a chemical compound on a continuous in-vitro pharmacological response through a new statistical model of response detection limit, Journal of Biopharmaceutical; Jun 6.PMID: 24905187
Wu KC, McDonald PR, Liu JJ, Klaassen CD (2014) Screening of Natural Compounds as Activators of the Keap1-Nrf2 Pathway. Planta Medica. 80: 97-104. Epub 2013 Dec 5. PMID: 24310212, PMC3466241
Roy A, Chaguturu R. Collaborative Innovation in Drug Discovery First ed. Chaguturu R, editor. Hoboken, New Jersey: John Wiey & Sons; 2014. Chapter 5, Current trends in collaborative drug discovery and strategies to de-risk precompetitive initiatives; p.57-73. 752p.
Peterson KR, Costa FC, Fedosyuk H, Neades RY, Chazelle AM, Zelenchuk L, Fonteles AH, Dalal P, Roy A, Chaguturu R, Li B, Pace BS. A cell-based high-throughput screen for novel chemical inducers of fetal hemoglobin for treatment of hemoglobinopathies. PloS one. 2014; 9(9):e107006. PubMed [journal] PMID:25225870, PMCID: PMC4165891
Blake LC, Roy A, Neul D, Schoenen FJ, Aubé J, Scott E (2013) Benzylmorpholine Analogs as Selective Inhibitors of Lung Cytochrome P450 2A13 for the Chemoprevention of Lung Cancer in Tobacco Users. Pharmaceutical Research. 2013 Sept 30(9):2290-302 PMID: 23756756, PMC3781598
Diaz FJ, McDonald PR, Roy A, Taylor B, Price A, Hall J, Blagg BS, Chaguturu R. Compound ranking based on a new mathematical measure of effectiveness using time course data from cell-based assays. Combinatorial chemistry & high throughput screening. 2013; 16(3):168-79. NIHMSID: NIHMS450310 PubMed [journal] PMID: 22934946, PMCID: PMC3655799
McDonald P, Roy A, Chaguturu R. Encyclopedia of Pharmaceutical Science and Technology. Fourth ed. Swarbrick J, editor. USA: Taylor & Francis; 2013. High-Throughput Screening (HTS) in Drug Discovery; August 23, p.1835-1847.
Skredenske JM, Koppolu V, Kolin A, Deng J, Kettle, B, Taylor B, Egan SM. 2013 Identification of a small-molecule inhibitor of bacterial AraC family activators J Biomol Screen. 2013 June18(5):588-98. doi: 10.1177/1087057112474690. PMID 23364515
Wu KC, McDonald PR, Liu JJ, Chaguturu R, Klaassen CD (2012) Implementation of a High-Throughput Screen for Identifying Small Molecules to Activate the Keap1-Nrf2-ARE Pathway. PLoS One. 7(10). PMID:23056183, PMC:3466241
McDonald P, Roy A, Chaguturu R A roadmap for achieving self-sustainability of academic high throughput screening core facilities. Drug Discovery World. 2012; Winter: 59-69.
McDonald PR, Roy A, Chaguturu R. The University of Kansas High-Throughput Screening Laboratory. Part II: enabling collaborative drug-discovery partnerships through cutting-edge screening technology. Future Med Chem. 2011 Jul;3(9):1101-10. doi: 10.4155/fmc.11.84. PubMed PMID: 21806374; PubMed Central PMCID: PMC3167485.
McDonald PR, Roy A, Chaguturu R. The University of Kansas High-Throughput Screening laboratory. Part I: meeting drug-discovery needs in the heartland of America with entrepreneurial flair. Future Med Chem. 2011 May;3(7):789-95. doi: 10.4155/fmc.11.36. PubMed PMID: 21644824; PubMed Central PMCID: PMC3332045.
Tai D, Chaguturu R, and Fang J (2011) K-Screen: a free application for high throughput screening data analysis, visualization, and laboratory information management. Combinatorial Chemistry and High Throughput Screen. Nov: 14 (9) 757-65. PMID: 21631412
Patent review. McGee JE, Roy A. Comb Chem High Throughput Screen. 2011 Dec;14(10):926-8.
Patent review. McGee JE, Roy A Comb Chem High Throughput Screen. 2011 Sep;14(8):739-40
Patent review. McGee JE, Roy A. Comb Chem High Throughput Screen. 2011 Aug;14(7):642.
Patent review. Roy A. Comb Chem High Throughput Screen. 2011 May;14(4):303.
Roy A, McDonald PR, Sittampalam S, Chaguturu R. Open access high throughput drug discovery in the public domain: a Mount Everest in the making. Curr Pharm Biotechnol. 2010 Nov;11(7):764-78. Review. PubMed PMID: 20809896; PubMed Central PMCID: PMC3716285.
Gui C, Obaidat A, Chaguturu R, Hagenbuch B. Development of a cell-based high-throughput assay to screen for inhibitors of organic anion transporting polypeptides 1B1 and 1B3. Curr Chem Genomics. 2010 Mar 1;4:1-8. doi:10.2174/1875397301004010001. PubMed PMID: 20448812; PubMed Central PMCID:PMC2864424.
Chaguturu R (2010) To greater heights, from a solid foundation. Combinatorial Chemistry and High Throughput Screening Jun; 13(5): 375-6 (abstract), PMID:2052874
Roy A, Taylor B, McDonald PR, Price A and Chaguturu R (2009) Hit-to-Probe to Lead Optimization Strategies: A Biology perspective to conquer the valley of death. Handbook of Drug Screening, Second Edition. Ed Ramakrishna Seethala and Litao Zang.
McDonald, PR, Roy, A, Taylor, B, Price, A, Sittampalam, S, Weir, S and Chaguturu, R. High Throughput Screening in Academia: Drug Discovery Initiatives at the University of Kansas. Drug Discovery World, Fall, 59-74, 2008.
D. Andrew Skaff and Henry M. Miziorko A visible wavelength spectrophotometric assay suitable for high-throughput screening of 3-hydroxy-3-methylglutaryl-CoA synthase Analytical Biochemistry. Volume 396, Issue 1, 1 January 2010, Pages 96–102.
Pessetto ZY, Weir SJ, Sethi G, Broward MA, Godwin AK. Drug repurposing for gastrointestinal stromal tumor. Mol Cancer Ther. 2013 Jul;12(7):1299-309. doi: 10.1158/1535-7163.MCT-12-0968. PubMed PMID: 23657945; PubMed Central PMCID: PMC3707936.