Publications

Academic Publications

At Queens College & CUNY Graduate Center

1.Sadeeshkumar Velayutham, Ryan Seerattan, Maab Sultan, Trisha Seal, Samaya Danthurthy, Baskaran Chinnappan, Aveta Singh, Keiran S.M. Smalley, Julia Zaias, Jun Yong Choi*, Dmitriy Minod*, Novel anti-melanoma leads are efficacious in A375 cell line xenograft melanoma model in nude mice (in preparation)

2. Jun Yong Choi*, Eugene Chung, Molecular dynamics simulations of matrix metalloproteinase 13 – ligand complexes and the analysis of the selectivity loop and the S1’-site, 2023 (revision)

3. Aditi Mukherjee, Zakir Hossain, Esteban Erben, Shuai Ma, Jun Yong Choi*, and Hee-Sook Kim*, Identification of a small molecule inhibitor specifically targeting the activity of DNA-binding domain A of RPA1, 2023, (revision)

4. Jun Yong Choi*, Yoshihiko Noguchi, James M. Alburger, Simon Bayle, Eugene Chung, Wayne Grant, Apirat Chaikuad, Stefan Knapp, Derek R. Duckett, and William R. Roush*, Structure-based development of isoform selective inhibitors of Casein Kinase 1 epsilon vs. Casein Kinase 1 delta, 2023, (revision)

5. Eunju Im, Ying Jiang, Sandipkumar Darji, Philip Stavrides, Hediye Erdjument-Bromage, Thomas A. Neubert, Matteo Bordi, Jun Yong Choi, Ju-Hyun Lee, and Ralph A. Nixon, APP disrupts lysosomal v-ATPase via phospho-variant Tyr682 βCTF in Down Syndrome, 2023, (revision)

6. Ashif I. Bhuiyan, Athena Choi, Dibyendu Dana, Jun Yong Choi, Sarbani Ghoshal, Karl R. Fath, Tanaji T. Talele, Sanjai K. Pathak, Identification of A Novel Spirocyclic Nek2 Inhibitor Using High Throughput Virtual Screening, Bioorg. Med. Chem. Lett., 2023 (accepted)

7.Rita Fuerst, Jun Yong Choi, Anna M. Knapinska, Michael D. Cameron, Claudia Ruiz, Amber Delmas, Mark S. Sundrud, Gregg B. Fields, William R. Roush, Development of a putative Zn2+-chelating but highly selective MMP-13 inhibitor, Bioorg. Med. Chem. Lett, 2022,76, 129014

8.Chen Hao Lo, Gemma Shay, Jeremy J McGuire, Tao Li, Kenneth H Shain, Jun Yong Choi, Rita Fuerst, William R Roush, Anna M Knapinska, Gregg B Fields, Conor C Lynch, Host-derived matrix metalloproteinase-13 activity promotes multiple myeloma-induced osteolysis and reduces overall survival, Cancer Res., 2021, 81 (9), 2415-2428

PATENT

1. Jun Yong Choi, Hee-Sook Kim, Esteban Erben, Zakir Hossain, Aditi Mukherjee, Small molecule inhibitors of Trypanosoma brucei Replication Protein A (2022) (A provisional patent application, Ref. 03284.0345US01)

Prior to Queens College - CUNY

1. Rita Fuerst, Jun Yong Choi, Anna M. Knapinska, Lyndsay Smith, Michael D. Cameron, Claudia H. Ruiz, Gregg B. Fields, and William R. Roush,

Development of MMP-13 inhibitors with optimized pharmacokinetic properties: A structure-activity/ structure-property relationship study, Bioorg. Med. Chem., 2018, 26 (18), 4984-4995

2. Claudia Magalhaes Calvet, Jun Yong Choi, Diane Thomas, Brian Suzuki, Ken Hirata, Sharon Johnson, Jiri Gut, Liliane Batista de Mesquita,

Alanderson Nogueira, Marcelo Meuser, Tatiana Araujo Silva, Jair Lage Siqueira-Neto, William R. Roush, Mirian Claudia de Souza Pereira,

James H. McKerrow, and Larissa M. Podust, 4-aminopyridyl-based lead compounds targeting CYP51 prevent spontaneous parasite relapse in a

chronic model and improve cardiac pathology in an acute model of Trypanosoma cruzi infection, PLoS Negl. Trop. Dis., 2017, 11(12): e0006132

3. Spencer D. Wood, Wayne Grant, Isabel M. Adrados, Jun Yong Choi, Derek R. Ducket, William R. Roush, In Silico High-throughput Screening To

Identify Indazole-Derived ULK1 Inhibitors, ACS Med. Chem. Lett., 2017, 8 (12) 1258-1263

4. Jun Yong Choi, Rita Fuerst, Anna Knapinska, P. John Hart, Gregg B. Fields, and William R. Roush, Comparative structural analysis and

molecular design for the development of highly potent and selective agents targeting Matrix Metalloproteinase 13, J. Med. Chem., 2017, 60, 5816-

5825 (highlighted in Faculty of 1000)

5. Jun Yong Choi, and Rita Fuerst, Virtual High-throughput Screening for Matrix Metalloproteinase Inhibitors, Methods. Mol. Biol., 2017, 1579, 259

271

6. Jun Yong Choi, and William R. Roush, Structure Based Design of CYP51 Inhibitors, Curr. Top. in Med. Chem., 2017, 17, 30-39

7. Laura-Isobel McCall, Amale El Aroussi, Jun Yong Choi, Geraldine De Muylder, Jonathan Johnston, Steven Chen, William R. Roush, Larissa M.

Podust, and James H. McKerrow, Targeting ergosterol biosynthesis in Leishmania donovani: essentiality of lanosterol 14α-demethylase, PLoS

Negl.Trop. Dis., 2015, 9, e0003588

8. Debora F. Vieira, Jun Yong Choi, Claudia M. Calvet, Jair Lage Siqueira-Neto, Jonathan B. Johnston, Danielle Kellar, Jiri Gut, Michael D. Cameron,

James H. McKerrow, William R. Roush, and Larissa M. Podust, Binding mode and potency of N-indolyl-oxopyridinyl-4-amino-propanyl-based

inhibitors targeting Trypanosoma cruzi CYP51, J. Med. Chem., 2014, 57, 10162-10175

9. Timothy P. Spicer, Jianwen Jiang, Alexander B. Taylor, Jun Yong Choi, P. John Hart, William R. Roush, Gregg B. Fields, Peter S. Hodder, and

Dmitriy Minond, Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in

vitro, J. Med. Chem., 2014, 57, 9598-9611

10. Jun Yong Choi, Larissa M. Podust, and William R. Roush, Drug strategies targeting CYP51 in neglected tropical diseases, Chem. Rev., 2014,

114, 11242-11271

11. Claudia M. Calvet, Debora F. Vieira, Jun Yong Choi, Danielle Kellar, Michael D. Cameron, Jair Lage Siqueira-Neto, Jiri Gut, Li Lin, Susan Khan,

James H. McKerrow, William R. Roush, and Larissa M. Podust, 4-aminopyridyl-based CYP51 inhibitors as anti-Trypanosoma cruzi drug leads with

improved pharmacokinetic profile and in vivo potency, J. Med. Chem., 2014, 57, 6989-7005

12. Debora F. Vieira, Jun Yong Choi, William R. Roush, and Larissa M. Podust, Expanding the binding envelope of CYP51 inhibitors targeting

Trypanosoma cruzi with 4-aminopyridyl-based sulfonamide derivatives, ChemBioChem, 2014, 15, 1111-1120

13. Jun Yong Choi, Claudia M. Calvet, Debora F. Vieira, Shamila S. Gunatilleke, Michael D. Cameron, James H. McKerrow, Larissa M. Podust, and

William R. Roush, The R-Configuration of 4-aminopyridyl-based inhibitors of CYP51 confers superior efficacy against Trypanosoma cruzi, ACS

Med. Chem. Lett., 2014, 5, 434-439

14. Jun Yong Choi, Claudia M. Calvet, Shamila S. Gunatilleke, Claudia Ruiz, Michael D. Cameron, James H. McKerrow, Larissa M. Podust, and

William R. Roush, Rational development of 4-aminopyridyl-based inhibitors targeting Trypanosoma cruzi CYP51 as anti-Chagas agents, J. Med.

Chem., 2013, 56, 7651-7668.

15. Mathieu Bibian, Ronald J. Rahaim, Jun Yong Choi, Yoshihiko Noguchi, Stephan Schürer, Weimin Chen, Shima Nakanishi, Konstantin Licht, Laura

H. Rosenberg, Lin Li, Yangbo Feng, Michael D. Cameron, Derek R. Duckett, John L. Cleveland, William R. Roush, Development of highly selective

casein kinase 1δ/1ε (CK1δ/ε) inhibitors with potent antiproliferative properties, Bioorg. Med. Chem. Lett., 2013, 23, 4374-4380.

16. Jun Yong Choi, Mark S. Plummer, Jeremy Starr, Charlene R. Desbonnet, Holly Soutter, Jeanne Chang, J. Richard Miller, Keith Dillman, Alita A.

Miller, and William R. Roush, Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate

Kinase: from Hit to Lead Generation, J. Med. Chem. 2012, 55, 852-870.

17. Younjoo Lee, Jun Yong Choi, Hong Fu, Colin Harvey, Sandeep Ravindran, William R. Roush, John C. Boothroyd, and Chaitan Khosla, Chemistry

and Biology of Macrolide Antiparasitic Agents, J. Med. Chem., 2011, 54(8), 2792-2804.

18. SA Saldanha, C Grimm, BA Mercer, JY Choi, C Allais, WR Roush, S Heller, P Hodder, Campaign to Identify Agonists of Transient Receptor

Potential Channels 3 and 2 (TRPML3 & TRPML2), National Center for Biotechnology Information (US) Bookshelf, 2010-2012; PMID: 24260779.

(MLPCN Probe Report)

19. Lisa M. Ballou, Elzbieta S. Selinger, Jun Yong Choi, Dale G. Drueckhammer, and Richard Z. Lin, Inhibition of mammalian target of rapamycin

signaling by 2-(morpholine-1-yl)pyrimido[2,1-α]isoquinoline-4-one, J. Biol. Chem., 2007, 282(33), 24463-24479.

20. Eun Joo Roh, Deukjoon Kim, Jun Yong Choi, Bon-Su Lee, Chong Ock Lee and Choong Eui Song, Synthesis, biological activity and receptor

based 3D-QSAR study of 3’-N-substituted-3’-N-debenzoylpaclitaxel analogues, Bioorg. Med. Chem., 2002, 10(10), 3135-3143..

21. Jun Yong Choi, Chang Kon Kim, Chan Kyung Kim, and Ikchoon Lee, High level ab initio study of thermal 1,3-sigmatropic shift in CH2=CHCH2X

with X = BH2, NH2, and CH3, The J. Phys. Chem. A, 2002, 106(23), 5709-5715

PATENTS

1. Thomas D. Bannister, William R. Roush, Jun Yong Choi, Reji N. Nair, Andy S. Tsai, Jitendra K. Mishra, John L. Cleveland, Heterocyclic inhibitors of monocarboxylate transporters (2019), US Patent App. 15545168

2. Thomas D. Bannister, William R. Roush, Jun Yong Choi, Reji N. Nair, Andy S. Tsai, Jitendra K. Mishra, John L. Cleveland, Heterocyclic compounds as inhibitors of monocarboxylate transporters and their preparation (2016), WO 2016118825 A1 20160728

3. William R. Roush, Jun Yong Choi, Larissa Podust, Aminopyridiy-based lead inhibitors targeting Trypanosoma cruzi CYP51. PCT Int. Appl. (2015),

WO 2015048306 A1 20150402.

4. Richard Lin, Dale Drueckhammer, Jun Yong Choi, Lisa Ballou, Inhibitors of mammalian target of rapamycin (mTOR) and methods of treatment

using same, PCT Int. Appl. (2008), WO 2008148074 A2 20081204