1. Artificial Intelligence(AI)-Based Drug Discovery

2. Molecular Modeling in Drug Discovery

3. Molecular Dynamics Simulations in Drug Discovery

4. Structure-Based Drug Discovery

5. Bioinformatics & Cheminformatics

6. Data science and computation

7. Pharmaceutical and pharmacological sciences

2021-2022
1. Kaempferol tetrasaccharides restore skin atrophy via PDK1 inhibition in human skin cells and tissues: Bench and clinical studies. Biomed Pharmacother. 2022 Dec;156:113864
2. Increased Susceptibility of Mycobacterium tuberculosis to Ethionamide by Expressing PPs-Induced Rv0560c. Antibiotics (Basel). 2022 Oct 4;11(10):1349
3. A novel class of antimicrobial drugs selectively targets a Mycobacterium tuberculosis PE-PGRS protein. PLoS Biol. 2022 May 31;20(5):e3001648
4. Curcuma phaeocaulis Inhibits NLRP3 Inflammasome in Macrophages and Ameliorates Nanoparticle-Induced Airway Inflammation in Mice. Molecules. 2022 Mar 24;27(7):2101
5. Identification of African Swine Fever Virus Inhibitors through High Performance Virtual Screening Using Machine Learning. Int J Mol Sci. 2021 Dec 14;22(24):13414
6. Exploring the chemical space of protein-protein interaction inhibitors through machine learning. Sci Rep. 2021 Jun 28;11(1):13369.
7. Prediction of African Swine Fever Virus Inhibitors by Molecular Docking-Driven Machine Learning Models. Molecules. 2021 Jun 11;26(12):3592.
8. A Basic Domain-Derived Tripeptide Inhibits MITF Activity by Reducing its Binding to the Promoter of Target Genes. J Invest Dermatol. 2021 Apr 3:S0022-202X(21)01133-7.


2015-2020
1. Oxoglutarate Carrier Inhibition Reduced Melanoma Growth and Invasion by Reducing ATP Production. Pharmaceutics. 2020 Nov 23;12(11):1128
2. CD99-PTPN12 Axis Suppresses Actin Cytoskeleton-Mediated Dimerization of Epidermal Growth Factor Receptor. Cancers (Basel). 2020 Oct 9;12(10):2895.
3. Snail augments fatty acid oxidation by suppression of mitochondrial ACC2 during cancer progression. Life Sci Alliance. 2020 Jun 2;3(7):e202000683.
4. A Novel Benzoxazole Derivative, Shows a Potent Anti-prion Activity and Prolongs the Mean Survival in an Animal Model of Prion Disease. Exp Neurobiol. 2020 Feb 29;29(1):93-105.
5. Identification and characterization of saikosaponins as antagonists of transient receptor potential A1 channel. Phytother Res. 2020 Apr;34(4):788-795. doi: 10.1002/ptr.6559.
6. Investigation of Hot Spot Region in XIAP Inhibitor Binding Site by Fragment Molecular Orbital Method. Comput Struct Biotechnol J. 2019 Aug 21;17:1217-1225.
7. Application of the fragment molecular orbital method to discover novel natural products for prion disease. Sci Rep. 2018 Aug 30;8(1):13063.
8. Discovery of a small-molecule inhibitor of Dvl-CXXC5 interaction by computational approaches. J Comput Aided Mol Des. 2018 May;32(5):643-655.
9. In silico discovery of quinoxaline derivatives as novel LRP5/6-sclerostin interaction inhibitors. Bioorg Med Chem Lett. 2018 Apr 1;28(6):1116-1121.
10. Identification of natural products as novel PI3Kβ inhibitors through pharmacophore-based virtual screening. Bulletin of the korean chemical society. 2018 Mar;39(3):294-299.
11. Natural products used as a chemical library for protein-protein interaction targeted drug discovery. J Mol Graph Model. 2018 Jan;79:46-58.
12. Comparison of Three-Dimensional Ligand-based Pharmacophores among 11 Phosphodiesterases (PDE 1 to PDE 11) Pharmacophores. Bulletin of the korean chemical society. 2017 Sep;38(9):1033-1037
13. Toll-like receptor 2 antagonists identified through virtual screening and experimental validation. FEBS J. 2017 Jul;284(14):2264-2283.
14. Niclosamide is a potential therapeutic for familial adenomatosis polyposis by disrupting Axin-GSK3 interaction. Oncotarget. 2017 May 9;8(19):31842-31855.
15. Anti-helminthic niclosamide inhibits Ras-driven oncogenic transformation via activation of GSK-3. Oncotarget. 2017 May 9;8(19):31856-31863.
16. Structural insight into the antiprion compound inhibition mechanism of native prion folding over misfolding. Chem Biol Drug Des. 2017 Jun;89(6):907-917.
17. Development of pharmacophore-based classification model for activators of constitutive androstane receptor. Drug Metab Pharmacokinet. 2017 Jun;32(3):172-178.
18. Identification of small-molecule compounds targeting the dishevelled PDZ domain by virtual screening and binding studies. Bioorg Med Chem. 2016 Aug 1;24(15):3259-66.
19. Small molecule inhibitors of the Dishevelled-CXXC5 interaction are new drug candidates for bone anabolic osteoporosis therapy. EMBO Mol Med. 2016 Apr 1;8(4):375-87.
20. Discovery of Novel Anti-prion Compounds Using In Silico and In Vitro Approaches. Sci Rep. 2015 Oct 9;5:14944.
21. CXXC5 is a negative-feedback regulator of the Wnt/β-catenin pathway involved in osteoblast differentiation. Cell Death Differ. 2015 Jun;22(6):912-20.

2006-2012
1. Enrichment of virtual hits by progressive shape-matching and docking. J Mol Graph Model. 2012 Feb;32:82-8.
2. Sanguinarine is an allosteric activator of AMP-activated protein kinase. Biochem Biophys Res Commun. 2011 Sep 23;413(2):259-63
3. 1,3-Diphenyl-1H-pyrazole derivatives as a new series of potent PPARγ partial agonists. Bioorg Med Chem. 2010 Dec 1;18(23):8315-23.
4. Global analysis of microarray data reveals intrinsic properties in gene expression and tissue selectivity. Bioinformatics. 2010 Jul 15;26(14):1723-30.
5. Identification of (beta-carboxyethyl)-rhodanine derivatives exhibiting peroxisome proliferator-activated receptor gamma activity. Eur J Med Chem. 2010 Jan;45(1):193-202.
6. A novel PPARrγ Agonist, SP1818, shows different coactivator profile with rosiglitazone. The Korean Society of Applied Pharmacology 2010; 18(1): 77-82
7. NetCSSP: web application for predicting chameleon sequences and amyloid fibril formation. Nucleic Acids Res. 2009 Jul;37(Web Server issue):W469-73.
8. Integrative Analysis of Microarray Data with Gene Ontology to Select Perturbed Molecular Functions using Gene Ontology Functional Code. Genomics & Informatics 2009;7(2): 122-130.
9. Optimization of high throughput virtual screening by combining shape-matching and docking methods. J Chem Inf Model. 2008 Mar;48(3):489-97.
10. Microarray Data Analysis of Perturbed Pathways in Breast Cancer Tissues. Genomics & Informatics 2008;6(4): 210-222.
11. QHELIX: a computational tool for the improved measurement of inter-helical angles in proteins. Protein J. 2007 Dec;26(8):556-61.
12. Evaluation of Advanced Structure-Based Virtual Screening Methods for Computer-Aided Drug Discovery. Genomics & Informatics.2007;5(1):24-29.
13. Large scale data mining approach for gene-specific standardization of microarray gene expression data. Bioinformatics. 2006 Dec 1;22(23):2898-904.

1. 니클로사미드 및 메트포르민을 포함하는 가족성 선종성 용종증 예방 또는 치료용 약학적 조성물, 10-2102993(2020).
2. 2-(((5,7-디메틸이미다조[1,2-a]피리미딘-2-일)메틸)티오)-N-(2 메톡시페닐)벤조[d]옥사졸-5-설폰아미드를 유효성분으로 포함하는 프리온 질환 예방 또는 치료용 약학적 조성물, 10-2007965(2019).
3. (이)-메틸2-클로로-5-(5-(2-(5-니트로-2,6-다이옥소-1,2,3,6-테트라하이드로피리미딘-4-일)비닐)푸란-2-일)벤조에이트 또는 이의 약학적으로 허용 가능한 염을 유효성분으로 포함하는 프리온 질환 예방 또는 치료용 약학적 조성물, 10-2024222(2019).
4. 구강전암의 치료용 약학 조성물 및 구강전암 또는 구강암의 예측 또는 진단 방법, 10-1936799(2019).
5. YAP-TEAD결합을 저해하는 화합물, 이의 수화물, 이의 용매화물 또는 이의 약제학적으로 허용가능한 염을 유효성분으로 함유하는 암의 예방 또는 치료용 약제학적 조성물, 10-2019-0141613(2019).
6. Pharmaceutical composition for treating or preventing disease concering Axin-GSK3 binding containing niclosamide, WO2018128515(2018).
7. Pharmaceutical Composition for Treating Oral Precancer and Method for Predicting or Detecting of Oral Precancer or Oral Cancer, WO2018128516A1(2018)
8. 니클로사이드를 함유하는 Axin-GSK3 단백질 결합 관련 질환 치료용 약학 조성물, 10-1928543(2018).
9. 1,5-디카페올리퀴닉산 또는 이의 약학적으로 허용가능한 염을 유효성분으로 함유하는 소해면상뇌증의 예방 또는 치료용 약학적 조성물, 10-1852570(2018).
10. (-)-3,5-디카페올리퀴닉산 또는 이의 약학적으로 허용가능한 염을 유효성분으로 함유하는 소해면상뇌증의 예방 또는 치료용 약학적 조성물, 10-1824014(2018).
11. Novel amide compounds and use thereof, WO2017135786A1(2017).
12. (E)-3,4-디하이드록시스티릴 2,3,4-트리하이드록시부타노에이트 또는 이의 약학적 으로 허용가능한 염을 유효성분으로 함유하는 소해면상뇌증의 예방 또는 치료용 조성물, 10-1746401(2017).
13. 신규 아미드 화합물 및 이의 용도, 10-1857714(2018).
14. 크로멘-4-온 유도체 또는 이의 약학적으로 허용가능한 염을 유효성분으로 포함하는 골형성 촉진용 약학적 조성물, 10-1539978(2015).
15. 신규한 로다닌 유도체와 이의 약학적 용도, 10-1095734(2011).