Publications

Hao H, Roy A, Johnson DK, Davido DJ. A high-throughput screen to identify potential inhibitors of HSV-2. Antiviral Res. 2026 Oct;254:106494. doi: 10.1016/j.antiviral.2026.106494. Epub 2026 Jul 30. PubMed PMID: 42532196.

Immel JR, Chen PH, McDonald P, Roy A, Johnson D, Bloom S. A Priori Design, Combinatorial Synthesis, and Assessment of an Antipackaging Peptide Against Human Immunodeficiency Virus 1: Functional Role of Unnatural Trp Mimetics and Serendipitous Discovery of a Protease Inhibitor. ChemMedChem. 2026 Jul 14;21(13):e70372. doi: 10.1002/cmdc.70372. PubMed PMID: 42427242; PubMed Central PMCID: PMC13351823.

Biswas B, Zhuo J, Bosch J, Vu H, Pak L, Raja R, Roy A, Panattoni A, Maryska M, Slavik P, Šigut K, Fehr AR, Abraham R, Slusher BS, Tsukamoto T, Leung AKL. Cellular engagement of the SARS-CoV-2 macrodomain by GS-441524 and enhanced in vitro inhibition by its diphosphorylated metabolite. RSC Chem Biol. 2026 Aug 5;7(8):1559-1567. doi: 10.1039/d6cb00139d. eCollection 2026 Aug 5. PubMed PMID: 42370299; PubMed Central PMCID: PMC13305366.

O'Connor JJ, Roy A, Khattabi R, Kerr C, Schwarting N, Alhammad YM, Gao P, Zhang X, Deng X, Fehr AR. Mutations differentially affecting the coronavirus Mac1 ADP-ribose binding and hydrolysis activities indicate that it promotes multiple stages of the viral replication cycle. J Virol. 2025 Aug 19;99(8):e0062325. doi: 10.1128/jvi.00623-25. Epub 2025 Jul 30. PubMed PMID: 40736256; PubMed Central PMCID: PMC12363162.

Pfannenstiel JJ, Duong MTH, Cluff D, Sherrill LM, Colquhoun I, Cadoux G, Thorne D, Pääkkönen J, Schemmel NF, O'Connor J, Saenjamsai P, Feng M, Parthasarathy S, Hageman MJ, Johnson DK, Roy A, Lehtiö L, Ferraris DV, Fehr AR. Identification of a series of pyrrolo-pyrimidine-based SARS-CoV-2 Mac1 inhibitors that repress coronavirus replication. mBio. 2025 Jun 11;16(6):e0386524. doi: 10.1128/mbio.03865-24. Epub 2025 May 23. PubMed PMID: 40407321; PubMed Central PMCID: PMC12153294.

Pfannenstiel JJ, Duong MTH, Cluff D, Sherrill LM, Colquhoun I, Cadoux G, Thorne D, Pääkkönen J, Schemmel NF, O'Connor J, Saenjamsai P, Feng M, Hageman MJ, Johnson DK, Roy A, Lehtiö L, Ferraris DV, Fehr AR. Identification of a series of pyrrolo-pyrimidine based SARS-CoV-2 Mac1 inhibitors that repress coronavirus replication. bioRxiv. 2024 Oct 29;. doi: 10.1101/2024.10.28.620664. PubMed PMID: 39554145; PubMed Central PMCID: PMC11565749. 

La Rosa C, Sharma P, Junaid Dar M, Jin Y, Qin L, Roy A, Kendall A, Wu M, Lin Z, Uchenik D, Li J, Basu S, Moitra S, Zhang K, Zhuo Wang M, Werbovetz KA. N-substituted-4-(pyridin-4-ylalkyl)piperazine-1-carboxamides and related compounds as Leishmania CYP51 and CYP5122A1 inhibitors. Bioorg Med Chem. 2024 Nov 1;113:117907. doi: 10.1016/j.bmc.2024.117907. Epub 2024 Sep 6. PubMed PMID: 39288704.

Dwikarina A, Bayati M, Efrat N, Roy A, Lei Z, Ho KV, Sumner L, Greenlief M, Thomas AL, Applequist W, Townesmith A, Lin CH. Exploring American Elderberry Compounds for Antioxidant, Antiviral, and Antibacterial Properties Through High-Throughput Screening Assays Combined with Untargeted Metabolomics. bioRxiv. 2024 Sep 14;. doi: 10.1101/2024.09.13.611920. PubMed PMID: 39314315; PubMed Central PMCID: PMC11419141.

Kerr CM, Pfannenstiel JJ, Alhammad YM, O'Connor JJ, Ghimire R, Shrestha R, Khattabi R, Saenjamsai P, Parthasarathy S, McDonald PR, Gao P, Johnson DK, More S, Roy A, Channappanavar R, Fehr AR. Mutation of a highly conserved isoleucine residue in loop 2 of several β-coronavirus macrodomains indicates that enhanced ADP-ribose binding is detrimental to infection. bioRxiv. 2024 Jul 12;. doi: 10.1101/2024.01.03.574082. PubMed PMID: 38260573; PubMed Central PMCID: PMC10802294.

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.

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.

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.

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.

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

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.