Research Record

• Glucose-mediated mitochondrial reprogramming by cholesterol export at TM4SF5-enriched mitochondria-lysosome contact sites Cancer Communications, 2024, v.44 no.1, 47-75
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• Albumin-binding photosensitizer capable of targeting glioma via the SPARC pathway Biomaterials Research, 2023, v.27 no.1, 23
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• DMAP and TBPP-mediated synthesis of urea-substituted nucleobases and nucleosides Tetrahedron, 2023, v.140, 133472
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• Dynamic allosteric networks drive adenosine A1 receptor activation and G-protein coupling Biophysical journal, 2023, v.122 no.3S1
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• Dynamic allosteric networks drive adenosine A₁ receptor activation and G-protein coupling ELIFE, 2023, v.12, RP90773
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• On the classical reaction rate and the first-time problems of Brownian motion Physica A: Statistical Mechanics and its Applications, 2023, v.622, 128823
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• Structure-Activity Relationships of Truncated 1′-Homologated Carbaadenosine Derivatives as New PPARγ/δ Ligands: A Study on Sugar Puckering Affecting Binding to PPARs Journal of Medicinal Chemistry, 2023, v.66 no.7, 4961-4978
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• Big data and artificial intelligence (AI) methodologies for computer-aided drug design (CADD) Biochemical Society Transactions, 2022, v.50 no.1, 241-252
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• CHARMM-GUI Enhanced Sampler for various collective variables and enhanced sampling methods PROTEIN SCIENCE, 2022, v.31 no.11, e4446
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• Discovery of (E)-3-(3-((2-Cyano-4' -dimethylaminobiphenyl-4-ylmethyl)cyclohexanecarbonylamino)-5-fluorophenyl)acrylic Acid Methyl Ester, an Intestine-Specific, FXR Partial Agonist for the Treatment of Nonalcoholic Steatohepatitis JOURNAL OF MEDICINAL CHEMISTRY, 2022, v.65 no.14, 9974-10000
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• GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A2AAdenosine Receptor Journal of Medicinal Chemistry, 2022, v.65 no.17, 11648-11657
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• Total synthesis of thioamycolamide A using diastereoselective sulfa-Michael addition as the key step Organic Chemistry Frontiers, 2022
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• 2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists Bioorganic and Medicinal Chemistry Letters, 2021, v.48, 128266
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• Discovery and Biological Evaluation of N-Methyl-pyrrolo[2,3-b]pyridine-5-carboxamide Derivatives as JAK1-Selective Inhibitors JOURNAL OF MEDICINAL CHEMISTRY, 2021, v.64 no.2, 958-979
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• Discovery of Benzopyridone-Based Transient Receptor Potential Vanilloid 1 Agonists and Antagonists and the Structural Elucidation of Their Activity Shift Journal of Medicinal Chemistry, 2021, v.64 no.1, 370-384
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• Emerging computational approaches for the study of regio- And stereoselectivity in organic synthesis Organic Chemistry Frontiers, 2021, v.8 no.18, 5165-5181
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• 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 THERANOSTICS, 2021, v.11 no.16, 8092-8111
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• Recent applications of deep learning methods on evolutionand contact-based protein structure prediction International Journal of Molecular Sciences, 2021, v.22 no.11, 6032
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• Structural Characterization of Receptor-Receptor Interactions in the Allosteric Modulation of G Protein-Coupled Receptor (GPCR) Dimers INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, v.22 no.6, 3241
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• Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A(3) Adenosine Receptor Homology Models and Structural Network Analysis Can Predict This Boundary JOURNAL OF MEDICINAL CHEMISTRY, 2021, v.64 no.17, 12525-12536
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• Advances in Molecular Dynamics Simulations and Enhanced Sampling Methods for the Study of Protein Systems INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, v.21 no.17, 6339
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• Asymmetric Total Syntheses of Kopsane Alkaloids via a PtCl2-Catalyzed Intramolecular [3+2] Cycloaddition Angewandte Chemie, 2020, v.132 no.31, 12932-12936
  Scopus dColl.
• Asymmetric Total Syntheses of Kopsane Alkaloids via a PtCl2-Catalyzed Intramolecular [3+2] Cycloaddition Angewandte Chemie - International Edition, 2020, v.59 no.31, 12832-12836
  SCIE Scopus dColl.
• Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies BIOMOLECULES, 2020, v.10 no.4, 631
  SCIE Scopus dColl.
• Discovery of Conformationally Restricted Human Glutaminyl Cyclase Inhibitors as Potent Anti-Alzheimer's Agents by Structure-Based Design JOURNAL OF MEDICINAL CHEMISTRY, 2019, v.62 no.17, 8011-8027
  SCIE Scopus dColl.
• Importance of protein dynamics in the structure-based drug discovery of class A G protein-coupled receptors (GPCRs) Current Opinion in Structural Biology, 2019, v.55, 147-153
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• In Vivo Albumin Traps Photosensitizer Monomers from Self-Assembled Phthalocyanine Nanovesicles: A Facile and Switchable Theranostic Approach Journal of the American Chemical Society, 2019, v.141 no.3, 1366-1372
  SCIE Scopus dColl.
• Total Synthesis of Hoiamide A Using an Evans-Tishchenko Reaction as a Key Step Organic Letters, 2019, v.21 no.14, 5471-5474
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• Transmembrane 4 L Six Family Member 5 Senses Arginine for mTORC1 Signaling CELL METABOLISM, 2019, v.29 no.6, 1306-
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• Water-Soluble Phthalocyanines Selectively Bind to Albumin Dimers: A Green Approach Toward Enhancing Tumor-Targeted Photodynamic Therapy THERANOSTICS, 2019, v.9 no.22, 6412-6423
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• 4-Aminophenyl acetamides and propanamides as potent transient receptor potential vanilloid 1 (TRPV1) ligands BIOORGANIC & MEDICINAL CHEMISTRY, 2018, v.26 no.15, 4509-4517
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• Adaptable Small Ligand of CYP1 Enzymes for Use in Understanding the Structural Features Determining Isoform Selectivity ACS Medicinal Chemistry Letters, 2018, v.9 no.12, 1247-1252
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• Evolution of In Silico Strategies for Protein-Protein Interaction Drug Discovery MOLECULES, 2018, v.23 no.8, 1963
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• Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design FRONTIERS IN PHARMACOLOGY, 2018, v.9
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• Inhibitory effect of tartrate against phosphate-induced DJ-1 aggregation INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2018, v.107, 1650-1658
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• Integrated Ligand and Structure-Based Investigation of Structural Requirements for Silent Information Regulator 1 (SIRT1) Activation CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2018, v.18 no.27, 2313-2324
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• Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region Bioorganic and Medicinal Chemistry, 2018, v.26 no.5, 1035-1049
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• Recent Advances in Structure-Based Drug Design Targeting Class A G Protein-Coupled Receptors Utilizing Crystal Structures and Computational Simulations JOURNAL OF MEDICINAL CHEMISTRY, 2018, v.61 no.1, 1-46
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• Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2018, v.66 no.40, 10608-10616
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• Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors BIOORGANIC & MEDICINAL CHEMISTRY, 2018, v.26 no.12, 3133-3144
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• Understanding G protein-coupled receptor allostery via molecular dynamics simulations: Implications for drug discovery Methods in Molecular Biology, 2018, v.1762, 455-472
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• Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer’s Agents Based on Rational Design Journal of Medicinal Chemistry, 2017, v.60 no.6, 2573-2590
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• Expediting the design, discovery and development of anticancer drugs using computational approaches Current Medicinal Chemistry, 2017, v.24 no.42, 4753-4778
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• In silico prediction of multiple-category classification model for cytochrome P450 inhibitors and non-inhibitors using machine-learning method SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2017, v.28 no.10 SI, 863-874
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• MLACP: machine-learning-based prediction of anticancer peptides ONCOTARGET, 2017, v.8 no.44, 77121-77136
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• N-6-Substituted 5'-N-Methylcarbamoyl-4'-selenoadenosines as Potent and Selective A3 Adenosine Receptor Agonists with Unusual Sugar Puckering and Nucleobase Orientation JOURNAL OF MEDICINAL CHEMISTRY, 2017, v.60 no.8, 3422-3437
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• Pyrazole C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2017, v.27 no.18, 4383-4388
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• t-Butyl pyridine and phenyl C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists BIOORGANIC & MEDICINAL CHEMISTRY, 2017, v.25 no.8, 2451-2462
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• 2-Sulfonamidopyridine C-region analogs of 2-(3-fluoro-4-methylsulfonamidophenyl)propanamides as potent TRPV1 antagonists Bioorganic and Medicinal Chemistry, 2016, v.24 no.6, 1231-1240
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• A novel pyrazole derivative protects from ovariectomy-induced osteoporosis through the inhibition of NADPH oxidase SCIENTIFIC REPORTS, 2016, v.6, 22389
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• Design, synthesis, and anticancer activity of C8-substituted-4′-thionucleosides as potential HSP90 inhibitors Bioorganic and Medicinal Chemistry, 2016, v.24 no.16, 3418-3428
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• Discovery of N-(3-fluoro-4-methylsulfonamidomethylphenyl)urea as a potent TRPV1 antagonistic template Bioorganic and Medicinal Chemistry Letters, 2016, v.26 no.15, 3603-3607
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• Harnessing the Therapeutic Potential of Capsaicin and Its Analogues in Pain and Other Diseases MOLECULES, 2016, v.21 no.8
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• Synthesis and biological evaluation of 3-substituted 5-benzylidene-1-methyl-2-thiohydantoins as potent NADPH oxidase (NOX) inhibitors BIOORGANIC & MEDICINAL CHEMISTRY, 2016, v.24 no.18, 4144-4151
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• The discovery of 2,5-isomers of triazole-pyrrolopyrimidine as selective Janus kinase 2 (JAK2) inhibitors versus JAK1 and JAK3 BIOORGANIC & MEDICINAL CHEMISTRY, 2016, v.24 no.21, 5036-5046
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• Ultraslow Water-Mediated Transmembrane Interactions Regulate the Activation of A(2A) Adenosine Receptor BIOPHYSICAL JOURNAL, 2016, v.111 no.6, 1180-1191
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• 5-Lipoxygenase inhibitors suppress RANKL-induced osteoclast formation via NFATc1 expression Bioorganic and Medicinal Chemistry, 2015, v.23 no.21, 7069-7078
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• 6,6-Fused heterocyclic ureas as highly potent TRPV1 antagonists Bioorganic and Medicinal Chemistry Letters, 2015, v.25 no.4
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• Anti-angiogenic activity of thienopyridine derivative LCB03-0110 by targeting VEGFR-2 and JAK/STAT3 Signalling EXPERIMENTAL DERMATOLOGY, 2015, v.24 no.7, 503-509
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• Communication over the Network of Binary Switches Regulates the Activation of A(2A) Adenosine Receptor PLOS COMPUTATIONAL BIOLOGY, 2015, v.11 no.2
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• Polymodal Transient Receptor Potential Vanilloid Type 1 Nocisensor: Structure, Modulators, and Therapeutic Applications Advances in Protein Chemistry and Structural Biology, 2015, 4 JAN 2016
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• Role of computer-aided drug design in modern drug discovery Archives of Pharmacal Research, 2015, 25 JUL 2015
  SCIE KCI Scopus dColl.
• Structure activity relationships of benzyl C-region analogs of 2-(3-fluoro-4-methylsulfonamidophenyl)propanamides as potent TRPV1 antagonists Bioorganic and Medicinal Chemistry, 2015, v.23 no.21, 6844-6854
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• Structure-Activity Relationships of Neplanocin A Analogues as S -Adenosylhomocysteine Hydrolase Inhibitors and Their Antiviral and Antitumor Activities Journal of Medicinal Chemistry, 2015, v.58 no.12, 5108-5120
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• The cell shape-determining Csd6 protein from Helicobacter pylori constitutes a new family of L, D-carboxypeptidase Journal of Biological Chemistry, 2015, v.290 no.41, 25103-25117
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• Total synthesis of the putative structure of the proposed Banyasin A Frontiers in Chemistry, 2015, v.3
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• Transient receptor potential vanilloid type 1 antagonists: a patent review (2011-2014) EXPERT OPINION ON THERAPEUTIC PATENTS, 2015, v.25 no.3, 291-318
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• alpha-Substituted 2-(3-fluoro-4-methylsulfonamidophenyl)acetamides as potent TRPV1 antagonists BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2015, v.25 no.11, 2326-2330
  SCIE Scopus dColl.
• 2-Alkyl/alkenyl substituted pyridine C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as highly potent TRPV1 antagonists Bioorganic and Medicinal Chemistry Letters, 2014, v.24 no.16
  SCIE Scopus dColl.
• 2-Aryl substituted pyridine C-region analogues of 2-(3-fluoro-4- methylsulfonylaminophenyl)propanamides as highly potent TRPV1 antagonists Bioorganic and Medicinal Chemistry Letters, 2014, v.24 no.16, 4044-4047
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• Asymmetric synthesis and receptor activity of chiral simplified resiniferatoxin (sRTX) analogues as transient receptor potential vanilloid 1 (TRPV1) ligands BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2014, v.24 no.1, 382-385
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• Mapping the intramolecular signal transduction of G-protein coupled receptors PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2014, v.82 no.5, 727-743
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• Promiscuous gating modifiers target the voltage sensor of Kv7.2, TRPV1, and Hv1 cation channels FASEB Journal, 2014, v.28 no.6, 2591-2602
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• Structural basis of the phosphorylation dependent complex formation of neurodegenerative disease protein Ataxin-1 and RBM17 BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2014, v.449 no.4, 399-404
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• Synthesis and Anti-Renal Fibrosis Activity of Conformationally Locked Truncated 2-Hexynyl-N-6-Substituted-(N)-Methanocarba-nucleosides as A(3) Adenosine Receptor Antagonists and Partial Agonists JOURNAL OF MEDICINAL CHEMISTRY, 2014, v.57 no.4, 1344-1354
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• [학술지논문] Advances in Molecular Dynamics Simulations and Enhanced Sampling Methods for the Study of Protein Systems INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, v.21 no.17 , 6339-6359
  SCIE
• [학술지논문] Asymmetric Total Syntheses of Kopsane Alkaloids via a PtCl2-Catalyzed Intramolecular [3+2] Cycloaddition ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, v.59 no.31 , 12832-12836
  SCI
• [학술지논문] Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies BIOMOLECULES, 2020, v.10 no.4 , 631-643
  SCIE
• [학술지논문] Discovery of Conformationally Restricted Human Glutaminyl Cyclase Inhibitors as Potent Anti-Alzheimer's Agents by Structure-Based Design JOURNAL OF MEDICINAL CHEMISTRY, 2019, v.62 no.17 , 8011-8027
  SCI
• [학술지논문] In Vivo Albumin Traps Photosensitizer Monomers from Self-Assembled Phthalocyanine Nanovesicles: A Facile and Switchable Theranostic Approach JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, v.141 no.3 , 1366-1372
  SCI
• [학술지논문] Total Synthesis of Hoiamide A Using an Evans-Tishchenko Reaction as a Key Step ORGANIC LETTERS, 2019, v.21 no.14 , 5471-5474
  SCI
• [학술지논문] Transmembrane 4 L Six Family Member 5 Senses Arginine for mTORC1 Signaling CELL METABOLISM, 2019, v.29 no.6 , 1306-1306
  SCI
• [학술지논문] Water-Soluble Phthalocyanines Selectively Bind to Albumin Dimers: A Green Approach Toward Enhancing Tumor-Targeted Photodynamic Therapy THERANOSTICS, 2019, v.9 no.22 , 6412-6423
  SCIE
• [학술발표] Introduction of My Career Path as a Scienctist in the Interdisciplinary and International Research KWSE Smart Sister Program, 대한민국, 2020-10-24 KWSE Smart Sister Program, 2020
• [학술발표] Molecular Modeling and Computer-Aided Drug Design (CADD), and their Applications to Drug Discovery 숭실대학교 생명정보학과 세미나, 대한민국, 2020-10-15 숭실대학교 생명정보학과 세미나, 2020
• [학술발표] Molecular Modeling and Computer-Aided Drug Design (CADD), and their Applications to Drug Discovery 전남대학교 약학대학 초청세미나, 대한민국, 2020-01-08 전남대학교 약학대학 초청세미나, 2020
• [학술발표] Application of Artificial Intelligence (AI) and Big Data for Computer-Aided Drug Design (CADD) to Enhance Drug Discovery 제6회 아주대학교 의·약학 공동 심포지엄, 대한민국, 2019-11-28 제6회 아주대학교 의·약학 공동 심포지엄, 2019
• [학술발표] Comprehensive mechanistic studies of a tetraspanin arginine sensor for the elucidation of mode of action and fibrosis inhibitor discovery 2019 MRC 성과발표회, 대한민국, 2019-12-10 2019 MRC 성과발표회, 2019
• [학술발표] Molecular Modeling and Computer-Aided Drug Design (CADD), and their Applications to Drug Discovery KAIST 화학과 세미나, 대한민국, 2019-11-27 KAIST 화학과 세미나, 2019
• [학술발표] Molecular Modeling and Computer-Aided Drug Design (CADD), and their Applications to Drug Discovery ACBI 2019 Jakarta Tutorial & Interview, 인도네시아, 2019-12-07 ACBI 2019 Jakarta Tutorial & Interview, 2019
• [학술발표] 슈퍼컴퓨터를 활용한 단백질 3차원 구조 및 메커니즘 연구와 신약개발에의 응용 KISTI 슈퍼컴데이, 대한민국, 2019-12-03 KISTI 슈퍼컴데이, 2019

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