Structure-based virtual screening of chemical database and identification of hit compounds by biophysical analyses (targets: epigenome modulators (HDACs, HMT, DNMT), Z-DNA binding protein, RNA pseudoknot and stem-loop, G-quadruplex, kinases, GPCR)
3D-QSAR/QSPR studies on various bioactive compounds
Identification of G-quadruplex binding proteins and their biological function
Development of GPCR agonists as antidiabetic agents
Education
(Ph.D.) College of Pharmacy,The University of Texas at Austin, USA
(M.S.) College of Pharmacy, Seoul National University, Korea
(B.S.) College of Pharmacy, Seoul National University, Korea
Experience
1997-2000 Postdoctoral associate, Massachusetts Institute of Technology, USA
2000-present Professor, School of Pharmacy, Sungkyunkwan University
2015-2016 Visiting professor, Duke University, USA
2019-2021 Adjunct faculty, INDICASAT-AIP, Panama
Journal Articles
(2024)
Development of a tetrahydroindazolone-based HDAC6 inhibitor with in-vivo anti-arthritic activity.
BIOORGANIC & MEDICINAL CHEMISTRY.
99,
1
(2023)
Synthesis and biological evaluation of novel N-benzyltriazolyl-hydroxamate derivatives as selective histone deacetylase 6 inhibitors.
BIOORGANIC & MEDICINAL CHEMISTRY.
79,
1
(2022)
Rapid discovery and classification of inhibitors of coronavirus infection by pseudovirus screen and amplified luminescence proximity homogeneous assay.
ANTIVIRAL RESEARCH.
209,
1
(2022)
A novel HSP90 inhibitor SL-145 suppresses metastatic triple-negative breast cancer without triggering the heat shock response.
ONCOGENE.
41,
23
(2022)
A novel C-terminal heat shock protein 90 inhibitor that overcomes STAT3-Wnt-beta-catenin signaling-mediated drug resistance and adverse effects.
THERANOSTICS.
12,
1
(2021)
Discovery of a simplified deguelin analog as an HSP90 C-terminal inhibitor for HER2-positive breast cancer.
BIOORGANIC MEDICINAL CHEMISTRY LETTERS.
45,
6
(2021)
Design, Synthesis, and Biological Evaluation of Imidazopyrazinone Derivatives as Antagonists of Inhibitor of Apoptosis Proteins (IAPs).
BULLETIN OF THE KOREAN CHEMICAL SOCIETY.
42,
6
(2021)
Structure-Activity Relationship Study and Biological Evaluation of 2-(Disubstituted phenyl)-indole-5-propanoic Acid Derivatives as GPR40 Full Agonists.
JOURNAL OF MEDICINAL CHEMISTRY.
64,
7
(2020)
QSAR Model for Predicting the Cannabinoid Receptor 1 Binding Affinity and Dependence Potential of Synthetic Cannabinoids.
MOLECULES.
25,
24
(2020)
A novel HSP90 inhibitor targeting the C-terminal domain attenuates trastuzumab resistance in HER2-positive breast cancer.
MOLECULAR CANCER.
19,
1
(2020)
Discovery of novel anti-breast cancer agents derived from deguelin as inhibitors of heat shock protein 90 (HSP90).
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS.
30,
17
(2020)
Synthesis, biological evaluation and molecular modelling of 2,4-disubstituted-5-(6-alkylpyridin-2-yl)-1H-imidazoles as ALK5 inhibitors.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY.
35,
1
(2020)
PBT-6, a Novel PI3KC2 gamma Inhibitor in Rheumatoid Arthritis.
BIOMOLECULES & THERAPEUTICS.
28,
2
(2020)
Absolute Configuration and Corrected NMR Assignment of 17-Hydroxycyclooctatin, a Fused 5-8-5 Tricyclic Diterpene.
JOURNAL OF NATURAL PRODUCTS.
83,
2
(2020)
Antithrombotic effect of SP-8008, a benzoic acid derivative, through the selective inhibition of shear stress-induced platelet aggregation.
BRITISH JOURNAL OF PHARMACOLOGY.
177,
4
(2019)
Lobatamunsolides A-C, Norlignans from the Roots of Pueraria lobata and their Nitric Oxide Inhibitory Activities in Macrophages.
BIOMOLECULES.
9,
12
(2019)
Identification of a novel S6K1 inhibitor, rosmarinic acid methyl ester, for treating cisplatin-resistant cervical cancer.
BMC CANCER.
19,
1
(2019)
Structure-activity relationship study of thiazolyl-hydroxamate derivatives as selective histone deacetylase 6 inhibitors.
BIOORGANIC & MEDICINAL CHEMISTRY.
27,
15
(2019)
Computer-Aided Discovery of Massonianoside B as a Novel Selective DOT1L Inhibitor.
ACS CHEMICAL BIOLOGY.
14,
5
(2019)
Structure-Activity Relationship of Sulfonyl Piperazine LpxH Inhibitors Analyzed by an LpxE-Coupled Malachite Green Assay.
ACS INFECTIOUS DISEASES.
5,
4
Publications
(2013)
Biophysical approaches to translational control of gene expression, Biophysics for the Life Sciences Volume 1.
Springer.
Co-author
(2004)
의약화학.
도서출판 신일상사.
Co-author
(2001)
의약화학.
도서출판 신일상사.
Co-author
Patent/Intellectual Property
GPR40 효능제 활성을 갖는 신규 화합물 및 이의 용도(Novel compounds having GPR40 agonistic activity and use thereof).
10-2017-0014871.
20180306.
KOREA, REPUBLIC OF
G-quadruplex DNA와 결합하는 신규 화합물, 그 제조 방법 및 이용.
10-2012-0055692.
20140827.
KOREA, REPUBLIC OF
Homopiperazine compounds that inhibit ribosomal frameshifting by binding to RNA pseudinot structure of SARS coronavirus.
JP2007- 329428.
20110805.
JAPAN
사스 코로나 바이러스의 RNA유사매듭구조에 결합하여 리보솜틀이동을 억제하는 호모피페라진계 화합물.
10-2006-0132761.
20110104.
KOREA, REPUBLIC OF
Homopiperazine compounds that inhibit ribosomal frameshifting by binding to RNA pseudinot structure of SARS coronavirus.
11/961,781.
20100928.
UNITED STATES
Conference Paper
(2023)
In Silico Modeling of RNA Pseudoknot Structure in SARS-CoV2 to Identify the Binding Site for Frameshifting Inhibitors.
EFMC International Symposium on Chemical Biology.
SWITZERLAND
(2023)
Synthesis and Biological Evaluation of 3-Aryl propionic acid GPR120 Agonists as Antidiabetic Agents.
EFMC International Symposium on Chemical Biology.
SWITZERLAND
(2022)
Identification of inhibitors of -1 programmed ribosomal frameshifting in SARS coronavirus 2.
대한약학회 추계학술대회.
KOREA, REPUBLIC OF
(2019)
Identification of Menin-MLL Inhibitor Candidates by Optimized Virtual Screening Method.
제20회 한국유기합성학회 학술대회(추계학술대회).
KOREA, REPUBLIC OF
(2019)
SAR and Mechanistic Study to Develop Novel Allosteric GPR40 Full Agonists.
제20회 한국유기합성학회 학술대회(추계학술대회).
KOREA, REPUBLIC OF
(2019)
Structure-Activity Relationships study and biological evaluation of Indole-5-propanoic acid GPR40 agonist.
제20회 한국유기합성학회 학술대회(추계학술대회).
KOREA, REPUBLIC OF
(2018)
In Silico Identification of Ligands for Epigenetic Targets.
The 3rd A3 Roundtable Meeting on Chemical Probe Research Hub.
KOREA, REPUBLIC OF
(2018)
Machine Learning Based QSAR Modeling of Phencyclidine Derivatives to Predict in vivo Addictive Properties.
Asia Hub for e-Drug Discovery (AHeDD) 2018.
KOREA, REPUBLIC OF
(2018)
Virtual Screening to Identify Novel Menin-MLL Inhibitors Using Machine-Learning Consensus Scoring Method.
Asia Hub for e-Drug Discovery (AHeDD) 2018.
KOREA, REPUBLIC OF
(2018)
Identification and Development of Ligands for Epigenetic Targets by Computational Approaches.
Asia Hub for e-Drug Discovery (AHeDD) 2018.
KOREA, REPUBLIC OF
(2018)
Identification of Protoberberine Alkaloids as Novel Histone Methyltransferase G9a
Inhibitors by In Silico Screening.
XXII International Conference on Organic Synthesis (22-ICOS).
ITALY
(2017)
Identification and development of ligands for epigenetic targets by computational approaches.
2017 Fall International Convention of The Pharmaceutical Society of Korea.
KOREA, REPUBLIC OF
(2017)
Development of Indole Propanoic Acid Derivatives as New Gpr40 Agonists.
AIMECS 2017 (Asia International Medicinal Chemistry Symposia).
AUSTRALIA
(2017)
Molecular Docking-Based Design of Novel HDAC6 Selective Inhibitors.
AIMECS 2017 (Asia International Medicinal Chemistry Symposia).
AUSTRALIA
(2017)
QSAR Analysis of Tryptamines for Predicting in vivo Addiction Potentials.
AIMECS 2017 (Asia International Medicinal Chemistry Symposia).
AUSTRALIA
(2017)
Structure-based Design Of EZH2 Inhibitors As Anticancer Agents.
AIMECS 2017 (Asia International Medicinal Chemistry Symposia).
AUSTRALIA
(2017)
In Silico Design of Epigenetic Enzyme Inhibitors.
2017 Spring International Convention of The Pharmaceutical Society of Korea.
KOREA, REPUBLIC OF
(2016)
Computer-aided Design and Optimization of Novel HDAC6-selective Inhibitors.
대한약학회 창립70주년 국제학술대회.
KOREA, REPUBLIC OF
(2016)
Structure-Activity Relationships Study of Indole-Based GPR40 Agonists as Antidiabetic Candidates.
대한약학회 창립70주년 국제학술대회.
KOREA, REPUBLIC OF
(2016)
QSAR Modeling of Synthetic Cathinones for Predicting in vivo Addiction Potential.
21st EuroQSAR.
ITALY