Jin-ha Yoo
Ewha Womans University · 生化学・遺伝学・分子生物学
研究室紹介
Professor Jin-ha Yoo's research lab specializes in medicinal chemistry and chemical biology, with a primary focus on the design and synthesis of novel nucleoside and nucleotide analogues for targeting adenosine receptors and other G protein-coupled receptors (GPCRs). The lab integrates computational methods such as molecular docking and molecular dynamics simulations with synthetic organic chemistry to explore structure-activity relationships and develop potent, selective ligands—particularly for the A3 adenosine receptor. A key innovation involves the strategic incorporation of selenium at the 4′-position of nucleosides to modulate conformation, metabolic stability, and receptor affinity, leading to the development of bioisosteric analogues with enhanced pharmacological profiles. The lab also investigates the biological implications of these compounds in metabolic and inflammatory diseases, including insulin sensitivity and adiponectin regulation.
Research Overview
Research Output Trend
Figures are computed from collected data and may differ slightly.
Selected Papers
15The P2Y<sub>14</sub> receptor (P2Y<sub>14</sub>R) mediates inflammatory activity by activating neutrophil motility, but few classes of antagonists are known. We have explored the structure-activity relationship of a 3-(4-phenyl-1 H-1,2,3-triazol-1-yl)-5-(aryl)benzoic acid antagonist scaffold, assisted by docking and molecular dynamics (MD) simulation at a P2Y<sub>14</sub>R homology model. A computational pipeline using the High Throughput MD Python environment guided the analogue design. Selecti
Writer's blocks: The first synthesis of RNA purine building blocks, 4'-selenoadenosine and 4'-selenoguanosine was achieved from D-ribose by regioisomeric rearrangement, which was confirmed by X-ray crystallography. 4'-Selenoadenosine exists in an unusual mixture of north and south conformers in the solid state.
A 3 adenosine receptor (AR) ligands including A 3 AR agonist, N 6 -(3-iodobenzyl)adenosine-5′- N -methyluronamide ( 1a, IB-MECA) were examined for adiponectin production in human bone marrow mesenchymal stem cells (hBM-MSCs). In this model, 1a significantly increased adiponectin production, which is associated with improved insulin sensitivity. However, A 3 AR antagonists also promoted adiponectin production in hBM-MSCs, indicating that the A 3 AR pathway may not be directly involved in the adip
Potent and selective A 3 adenosine receptor (AR) agonists were identified by the replacement of 4′-oxo- or 4′-thionucleosides with bioisosteric selenium. Unlike previous agonists, 4′-seleno analogues preferred a glycosidic syn conformation and South sugar puckering, as shown in the X-ray crystal structure of 5′- N -methylcarbamoyl derivative 3p . Among the compounds tested, N 6 -3-iodobenzyl analogue 3d was found to be the most potent A 3 AR full agonist ( K i = 0.57 nM), which was ≥800- and 190
BACKGROUND: 4'-seleno-homonucleosides were synthesized as next-generation nucleosides, and their cellular phosphorylation was studied to confirm the hypothesis that bulky selenium atom can sterically hinder the approach of cellular nucleoside kinase to the 5'-OH for phosphorylation. RESULTS: 4'-seleno-homonucleosides (n = 2), with one-carbon homologation, were synthesized through a tandem seleno-Michael addition-SN2 ring cyclization. LC-MS analysis demonstrated that they were phosphorylated by c
A new series of 4′-selenoadenosine-5′-N,N-dimethyluronamide derivatives as highly potent and selective human A3 adenosine receptor (hA3AR) antagonists, is described. The highly selective A3AR agonists, 4′-selenoadenosine-5′-N-methyluronamides were successfully converted into selective antagonists by adding a second N-methyl group to the 5′-uronamide position. All the synthesized compounds showed medium to high binding affinity at the hA3AR. Among the synthesized compounds, 2-H-N6-3-iodobenzylami
Adenosine mediates various physiological activities in the body. Adenosine receptors (ARs) are widely expressed in tumors and the tumor microenvironment (TME), and they induce tumor proliferation and suppress immune cell function. There are four types of human adenosine receptor (hARs): hA1, hA2A, hA2B, and hA3. Both hA1 and hA3 AR play an important role in tumor proliferation. We designed and synthesized novel 1,3,5-triazine derivatives through amination and Suzuki coupling, and evaluated them
Adenines that incorporate known agonist affinity-enhancing substituents are A <sub>3</sub> AR-selective antagonists.
Adenosine receptors (ARs) play crucial roles in various physiological processes, making them significant targets for therapeutic intervention. This study focuses on the design, synthesis, and evaluation of N 6‐substituted‐ C 2‐alkynyl‐4′‐thioadenosine and truncated 4′‐thioadenosine derivatives as selective ligands for the human A 3 adenosine receptor (hA 3 AR). Binding affinity assays demonstrated that modifications at the C 2‐alkyne and N 6‐amine positions significantly influenced receptor sele
Abstract MLN4924 is known for its potential in cancer treatment and antiviral activity as a NEDD8‐activating enzyme (NAE) inhibitor. We designed and synthesized fluorinated MLN4924 derivatives by electrophilic fluorination at the 6′‐position and nucleophilic fluorination at the 2′‐position of the sugar moiety, respectively. The compounds were then evaluated for their anti‐HCMV activity, and compound 2 a exhibited the most potent HCMV inhibitory activity, showing similar results to MLN4924 but wi