2024

• PAK4 phosphorylates and inhibits AMPKα to control glucose uptake. Wu D, Yu HC, Cha HN, Park S, Lee Y, Yoon SJ, Park SY, Park BH, Bae EJ. Nat Commun. 2024 Aug 10;15(1):6858. 

• Kinetic Model for the Desensitization of G Protein-Coupled Receptor. Kim WK, Lee Y, Jang SJ, Hyeon C. J Phys Chem Lett. 2024 Jun 13;15(23):6137-6145.

• Discovery of N-(1,4-Benzoxazin-3-one) urea analogs as Mode-Selective TRPV1 antagonists. Huang G, Jung A, Li LX, Do N, Jung S, Jeon Y, Zuo D, Thanh La M, Van Manh N, Blumberg PM, Yoon H, Lee Y, Ann J, Lee J. Bioorg Med Chem Lett. 2024 Jul 1;106:129735.

• Fc engineered anti-virus therapeutic human IgG1 expressed in plants with altered binding to the neonatal Fc receptor. Park SA†, Lee Y†, Hwang H, Lee JH, Kang YJ, Kim Y, Jin C, An HJ, Oh YJ, Hinterdorfer P, Kim E, Choi S, Ko K. Biotechnol J. 2024 Mar;19(3):e2300552.

• Discovery of N-(1-(2-hydroxyethyl)quinolin-2-one)-N'-(1-phenyl-1H-pyrazol-5-yl)methyl) urea as Mode-Selective TRPV1 antagonist. Zuo D, Hong M, Jung A, Lee S, Do N, Jung S, Jeon Y, Won Jeong J, Huang G, Li LX, Blumberg PM, Yoon H, Lee Y, Ann J, Lee J. Bioorg Med Chem Lett. 2024 Mar 15;101:129656.

• Glucose-mediated mitochondrial reprogramming by cholesterol export at TM4SF5-enriched mitochondria-lysosome contact sites. Kim JE, Park SY, Kwak C, Lee Y, Song DG, Jung JW, Lee H, Shin EA, Pinanga Y, Pyo KH, Lee EH, Kim W, Kim S, Jun CD, Yun J, Choi S, Rhee HW, Liu KH, Lee JW. Cancer Commun. 2024 Jan;44(1):47-75.

2023

• Revolutionizing Medicinal Chemistry: The Application of Artificial Intelligence (AI) in Early Drug Discovery. R Han†, H Yoon†, G Kim, H Lee, Y Lee*. Pharmaceuticals 2023; 16(9):1259.

• Benzo[a]pyrene represses synaptic vesicle exocytosis by inhibiting P/Q-type calcium channels in hippocampal neurons. Kim YK, Eom Y, Yoon H, Lee Y*, Lee SH*. Ecotoxicol Environ Saf. 2023 Sep 15;263:115301.

• Identification of a Non-Nucleoside Reverse Transcriptase Inhibitor against Human Immunodeficiency Virus-1. Kim MJ, Yu KL, Han R, Lee Y, Oh K, You JC. ACS Infect Dis. 2023 Aug 11;9(8):1582-1592.

• Structure-Based Insight on the Mechanism of N-Glycosylation Inhibition by Tunicamycin. Yoon D, Moon JH, Cho A, Boo H, Cha JS, Lee Y*, Yoo J*. Mol Cells. 2023 Jun 30;46(6):337-344.

• Albumin-binding photosensitizer capable of targeting glioma via the SPARC pathway. Li X†, Oh JS†, Lee Y†, Lee EC, Yang M, Kwon N, Ha TW, Hong DY, Song Y, Kim HK, Song BH, Choi S, Lee MR, Yoon J. Biomater Res. 2023 Mar 21;27(1):23.

• Chemical Knockdown of Phosphorylated p38 Mitogen-Activated Protein Kinase (MAPK) as a Novel Approach for the Treatment of Alzheimer′s Disease, Son SH, Lee N-R, Gee MS, Song CW, Lee SJ, Lee S-K, Lee Y, Kim HJ, Lee JK, Inn K-S, Kim N-J, ACS Cent Sci. 2023; 9(3):417-426.

• Systematic analyses of the sequence conservation and ligand interaction patterns of purinergic P1 and P2Y receptors provide a structural basis for receptor selectivity. Han R, Yoon H, Yoo J*, Lee Y*. Comput Struct Biotechnol J. 2023; 21:889-898.

2022

• GPCR agonist-to-antagonist conversion: enabling the design of nucleoside functional wwitches for the A2A Adenosine Receptor. Shiriaeva A†, Park D†, Kim G†, Lee Y†, Hou X, Jarhad DB, Kim G, Yu J, Hyun YE, Kim W, Gao ZG, Jacobson KA, Han GW, Stevens RC, Jeong LS, Choi S, Cherezov V. J Med Chem. 2022 Sep 8;65(17):11648-11657.

• Design, synthesis and biological evaluation of 1,3,5-triazine derivatives targeting hA1 and hA3 adenosine receptor. Park S, Ahn Y, Kim Y, Roh EJ, Lee Y, Han C, Yoo HM, Yu J. Molecules. 2022 Jun 22;27(13):4016.

• Structure-activity relationships of novel quinazoline derivatives with high selectivity for HER2 over EGFR. Lee JW, Choi C, Kim J, Lee S, Kim J, Lee Y, Min KH. Arch Pharm Res. 2022 Mar;45(3):123-141.

2021

• Subtle chemical changes cross the boundary between agonist and antagonist: New A3 adenosine receptor homology models and structural network analysis can predict this boundary. Lee Y†, Hou X†, Lee JH†, Nayak A, Alexander V, Sharma PK, Chang H, Phan K, Gao ZG, Jacobson KA, Choi S, Jeong LS. J Med Chem. 2021 Sep 9;64(17):12525-12536.

• N-terminus-independent activation of c-Src via binding to a tetraspan(in) TM4SF5 in hepatocellular carcinoma is abolished by the TM4SF5 C-terminal peptide application. Song HE†, Lee Y†, Kim E†, Cho CY, Jung O, Lee D, Lee EG, Nam SH, Kang M, Macalino SJY, Kim JE, Jung JW, Kwon SW, Choi S, Lee JW. Theranostics. 2021 Jul 6; 11(16):8092-8111. 

• Recent applications of deep learning methods on evolution- and contact-based protein structure prediction. Suh D, Lee JW, Choi S, Lee Y. Int J Mol Sci. 2021 Jun 2;22(11):6032.

• Discovery of benzopyridone-based transient receptor potential vanilloid 1 agonists and antagonists and the structural elucidation of their activity shift. Thorat SA†, Lee Y†, Jung A, Ann J, Ahn S, Baek J, Zuo D, Do N, Jeong JJ, Blumberg PM, Esch TE, Turcios NA, Pearce LV, Ha HJ, Yoo YD, Hong S, Choi S, Lee J. J Med Chem. 2021 Jan 14;64(1):370-384.

2020

• Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Baumhardt JM, Walker JS, Lee Y, Shakya B, Brautigam CA, Lapalombella R, Grishin NV, Chook YM. Mol Biol Cell. 2020 Aug 1;31(17):1879-1891.

• pCRM1exportome: database of predicted CRM1-dependent Nuclear Export Signal (NES) motifs in cancer-related genes. Lee Y, Baumhardt JM, Pei J, Chook YM, Grishin NV. Bioinformatics. 2020 Feb 1;36(3):961-963.

2019

• Water-soluble phthalocyanines selectively bind to albumin dimers: A green approach toward enhancing tumor-targeted photodynamic therapy. Li X†, Jeong K†, Lee Y†, Guo T, Lee D, Park J, Kwon N, Na JH, Hong SK, Cha SS, Huang JD, Choi S, Kim S, Yoon J. Theranostics. 2019 Aug 14;9(22):6412-6423.

• Importance of protein dynamics in the structure-based drug discovery of class A G protein-coupled receptors (GPCRs). Lee Y, Lazim R, Macalino SJY, Choi S. Curr Opin Struct Biol. 2019 Apr;55:147-153.

• Structural prerequisites for CRM1-dependent nuclear export signaling peptides: accessibility, adapting conformation, and the stability at the binding site. Lee Y, Pei J, Baumhardt JM, Chook YM, Grishin NV. Sci Rep. 2019 Apr 29;9(1):6627.

• In vivo albumin traps photosensitizer monomers from self-assembled phthalocyanine nanovesicles: A facile and switchable theranostic approach. Li X, Yu S, Lee Y, Guo T, Kwon N, Lee D, Yeom SC, Cho Y, Kim G, Huang JD, Choi S, Nam KT, Yoon J. J Am Chem Soc. 2019 Jan 23;141(3):1366-1372.

2018

• Adaptable small ligand of CYP1 enzymes for use in understanding the structural features determining isoform selectivity. Lee JY, Cho H, Thangapandian S, Lim C, Chun YJ, Lee Y, Choi S, Kim S. ACS Med Chem Lett. 2018 Oct 29;9(12):1247-1252.

• Understanding G protein-coupled receptor allostery via molecular dynamics simulations: Implications for drug discovery. Basith S†, Lee Y†, Choi S. Methods Mol Biol. 2018;1762:455-472.

• Recent advances in structure-based drug design targeting class A G protein-coupled receptors utilizing crystal structures and computational simulations. Lee Y†, Basith S†, Choi S. J Med Chem. 2018 Jan 11;61(1):1-46.

2016

• Ultraslow water-mediated transmembrane interactions regulate the activation of A2A adenosine receptor. Lee Y, Kim S, Choi S, Hyeon C. Biophys J. 2016 Sep 20;111(6):1180-1191.

• A novel pyrazole derivative protects from ovariectomy-induced osteoporosis through the inhibition of NADPH oxidase. Joo JH, Huh JE, Lee JH, Park DR, Lee Y, Lee SG, Choi S, Lee HJ, Song SW, Jeong Y, Goo JI, Choi Y, Baek HK, Yi SS, Park SJ, Lee JE, Ku SK, Lee WJ, Lee KI, Lee SY, Bae YS. Sci Rep. 2016 Mar 15;6:22389.

2015

• Structure-activity relationships of Neplanocin A analogues as S-adenosylhomocysteine hydrolase inhibitors and their antiviral and antitumor activities. Chandra G†, Moon YW†, Lee Y†, Jang JY, Song J, Nayak A, Oh K, Mulamoottil VA, Sahu PK, Kim G, Chang TS, Noh M, Lee SK, Choi S, Jeong LS. J Med Chem. 2015 Jun 25;58(12):5108-5120.

• Anti-angiogenic activity of thienopyridine derivative LCB03-0110 by targeting VEGFR-2 and JAK/STAT3 Signalling. Kim BH†, Lee Y†, Yoo H, Cui M, Lee S, Kim SY, Cho JU, Lee H, Yang BS, Kwon YG, Choi S, Kim TY. Exp Dermatol. 2015 Jul;24(7):503-509.

• Transient receptor potential vanilloid type 1 antagonists: a patent review (2011 - 2014). Lee Y, Hong S, Cui M, Sharma PK, Lee J, Choi S. Expert Opin Ther Pat. 2015 Mar;25(3):291-318.

• Communication over the network of binary switches regulates the activation of A2A adenosine receptor. Lee Y, Choi S, Hyeon C. PLoS Comput Biol. 2015 Feb 9;11(2):e1004044.

2014

• Structural basis of the phosphorylation dependent complex formation of neurodegenerative disease protein Ataxin-1 and RBM17. Kim E†, Lee Y†, Choi S, Song JJ. Biochem Biophys Res Commun. 2014 Jul 11;449(4):399-404.

• Promiscuous gating modifiers target the voltage sensor of K(v)7.2, TRPV1, and H(v)1 cation channels. Kornilov P, Peretz A, Lee Y, Son K, Lee JH, Refaeli B, Roz N, Rehavi M, Choi S, Attali B. FASEB J. 2014 Jun;28(6):2591-602.

• Synthesis and anti-renal fibrosis activity of conformationally locked truncated 2-hexynyl-N(6)-substituted-(N)-methanocarba-nucleosides as A3 adenosine receptor antagonists and partial agonists. Nayak A, Chandra G, Hwang I, Kim K, Hou X, Kim HO, Sahu PK, Roy KK, Yoo J, Lee Y, Cui M, Choi S, Moss SM, Phan K, Gao ZG, Ha H, Jacobson KA, Jeong LS. J Med Chem. 2014 Feb 27;57(4):1344-1354.

• Mapping the intramolecular signal transduction of G-protein coupled receptors. Lee Y, Choi S, Hyeon C. Proteins: Struct Funct Bioinfo. 2014 May;82(5):727-743.

2013

• Identification of active Plasmodium falciparum calpain to establish screening system for Pf-calpain-based drug development. Soh BY, Song HO, Lee Y, Lee J, Kaewintajuk K, Lee B, Choi YY, Cho JH, Choi S, Park H. Malar J. 2013 Feb 4;12:47.

2012

• Selectivity enhancement arising from interactions at the PI3K unique pocket. Jeong Y, Lee J, Lee Y, Ham K, Choi S, Hong S. ChemMedChem. 2012 Aug;7(8):1379-1383.

• 8-Hydroxy-2-deoxyguanosine prevents plaque formation and inhibits vascular smooth muscle cell activation through Rac1 inactivation. Huh JY, Son DJ, Lee Y, Lee J, Kim B, Lee HM, Jo H, Choi S, Ha H, Chung MH. Free Radic Biol Med. 2012 Jul 1;53(1):109-121.

• Structure-activity relationships of truncated C2- or C8-substituted adenosine derivatives as dual acting A₂A and A₃ adenosine receptor ligands. Hou X, Majik MS, Kim K, Pyee Y, Lee Y, Alexander V, Chung HJ, Lee HW, Chandra G, Lee JH, Park SG, Choi WJ, Kim HO, Phan K, Gao ZG, Jacobson KA, Choi S, Lee SK, Jeong LS. J Med Chem. 2012 Jan 12;55(1):342-356.

2011

• Link between allosteric signal transduction and functional dynamics in a multi-subunit enzyme: S-adenosylhomocysteine hydrolase. Lee Y, Jeong LS, Choi S, Hyeon C. J Am Chem Soc. 2011 Dec 14;133(49):19807-19815.

• Structural insights into transient receptor potential vanilloid type 1 (TRPV1) from homology modeling, flexible docking, and mutational studies. Lee JH, Lee Y, Ryu H, Kang DW, Lee J, Lazar J, Pearce LV, Pavlyukovets VA, Blumberg PM, Choi S. J Comput Aided Mol Des. 2011 Apr;25(4):317-327.

• X-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues. Lee KM, Choi WJ, Lee Y, Lee HJ, Zhao LX, Lee HW, Park JG, Kim HO, Hwang KY, Heo YS, Choi S, Jeong LS. J Med Chem. 2011 Feb 24;54(4):930-938.

2010

• Herbal compound farnesiferol C exerts antiangiogenic and antitumor activity and targets multiple aspects of VEGFR1 (Flt1) or VEGFR2 (Flk1) signaling cascades. Lee JH, Choi S, Lee Y, Lee HJ, Kim KH, Ahn KS, Bae H, Lee HJ, Lee EO, Ahn KS, Ryu SY, Lu J, Kim SH. Mol Cancer Ther. 2010 Feb;9(2):389-399.

2009

• 3D-QSAR studies of cytotoxic heterocyclic quinones using calculated reduction potential. Lee Y, Kim S, Rhee HK, Doh KE, Park J, Lee CO, Choi S, Park Choo HY. Drug Dev Res. 2009 Jul 16;70(6):438-444.

• Oxidative modifications of glyceraldehyde-3-phosphate dehydrogenase play a key role in its multiple cellular functions. Hwang NR, Yim SH, Kim YM, Jeong J, Song EJ, Lee Y, Lee JH, Choi S, Lee KJ. Biochem J. 2009 Sep 25;423(2):253-264.

• Non-vanillyl resiniferatoxin analogues as potent and metabolically stable transient receptor potential vanilloid 1 agonists. Choi HK, Choi S, Lee Y, Kang DW, Ryu H, Maeng HJ, Chung SJ, Pavlyukovets VA, Pearce LV, Toth A, Tran R, Wang Y, Morgan MA, Blumberg PM, Lee J. Bioorg Med Chem. 2009 Jan 15;17(2):690-698.

2008

• 3D-QSAR studies of heterocyclic quinones with inhibitory activity on vascular smooth muscle cell proliferation using pharmacophore-based alignment. Ryu CK, Lee Y, Park SG, You HJ, Lee RY, Lee SY, Choi S. Bioorg Med Chem. 2008 Nov 15;16(22):9772-9779.

• Stereoselective synthesis and conformational study of novel 2',3'-didehydro-2',3'-dideoxy-4'-selenonucleosides. Tosh DK, Choi WJ, Kim HO, Lee Y, Pal S, Hou X, Choi J, Choi S, Jeong LS. J Org Chem. 2008 Jun 6;73(11):4259-4262.

• Capsiate, a nonpungent capsaicin-like compound, inhibits angiogenesis and vascular permeability via a direct inhibition of Src kinase activity. Pyun BJ, Choi S, Lee Y, Kim TW, Min JK, Kim Y, Kim BD, Kim JH, Kim TY, Kim YM, Kwon YG. Cancer Res. 2008 Jan 1;68(1):227-235.

2007

• Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as multiple hydrogen bonding donor in the active site of S-adenosylhomocysteine hydrolase. Wang T, Lee HJ, Tosh DK, Kim HO, Pal S, Choi S, Lee Y, Moon HR, Zhao LX, Lee KM, Jeong LS. Bioorg Med Chem Lett. 2007 Aug 15;17(16):4456-4459.

• A polypeptide inhibiting osteoclastogenesis, pharmaceutical or food composition comprising the same, method of inhibiting osteoclastogenesis, a method of treating or preventing a bone disease, nucleic acid encoding the polypeptide, vector comprising the nucleicacid and a host cell transformed with the vector

Patent No.: KO 10-1120638 [2012.02.20] (Application No.: 10-2009-17774 [2009.03.02])

Assignee: Ewha Womans University, Sunkyunkwan University

Inventors: Lee, S. Y.; Choi, S.; Huh, J. Y.; Lee, Y.; Lee, M. -S.