Search results for: Kyoung Tai No

Items from 1 to 20 out of 61 results

article

Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content

In‐Keun Jung, Joonho Choi, Jin Nam, Kyoung Tai No

Journal of Cosmetic Dermatology > 20 > 9 > 2924 - 2931

Background Studies have shown that there is a high correlation between atopic dermatitis and decrease in ceramide content in the lipid bilayer of skin. Moreover, it has been shown that the reduction in ceramide content in the stratum corneum is unique to atopic dermatitis, indicating that there are particular structural differences between the lipid bilayers of normal and atopic skin. Aim This...

article

Identification and characterization of saikosaponins as antagonists of transient receptor potential A1 channel

Gyeongbeen Lee, Jiwon Choi, Yeon‐Ju Nam, Myung‐Jin Song, more

Phytotherapy Research > 34 > 4 > 788 - 795

Neuropathic pain is associated with an increased sensitivity to painful stimuli or abnormal sensitivity to otherwise innocuous stimuli. However, in addition to adverse effects, currently available drugs have shown limited response in patients with neuropathic pain, which provides a rationale to explore new drug classes acting on novel targets and with better efficacy and safety profiles. Here, we...

article

Discovery of a small-molecule inhibitor of Dvl–CXXC5 interaction by computational approaches

Songling Ma, Jiwon Choi, Xuemei Jin, Hyun-Yi Kim, more

Journal of Computer-Aided Molecular Design > 2018 > 32 > 5 > 643-655

The Wnt/β-catenin signaling pathway plays a significant role in the control of osteoblastogenesis and bone formation. CXXC finger protein 5 (CXXC5) has been recently identified as a negative feedback regulator of osteoblast differentiation through a specific interaction with Dishevelled (Dvl) protein. It was reported that targeting the Dvl–CXXC5 interaction could be a novel anabolic therapeutic target...

article

Natural products used as a chemical library for protein–protein interaction targeted drug discovery

Xuemei Jin, Kyungro Lee, Nam Hee Kim, Hyun Sil Kim, more

Journal of Molecular Graphics and Modelling > 2018 > 79 > C > 46-58

Protein–protein interactions (PPIs), which are essential for cellular processes, have been recognized as attractive therapeutic targets. Therefore, the construction of a PPI-focused chemical library is an inevitable necessity for future drug discovery. Natural products have been used as traditional medicines to treat human diseases for millennia; in addition, their molecular scaffolds have been used...

article

Assessment of some (Q)SAR-based alternative methods of harmful chemicals and its systematization to support the activities facing regional regulations

Kwang-Yon Kim, Seong Eun Shin, Kyoung Tai No

Toxicology Letters > 2017 > 280 > S1 > S93

article

Toxicity prediction modeling study for manufactured nanoparticles: Nano-toxicity relationships for human health and environment endpoints

Hyun Kil Shin, Myung Won Seo, Seong Eun Shin, Kwang-Yon Kim, more

Toxicology Letters > 2017 > 280 > S1 > S280

article

Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction

Insun Park, Ashwini M. Londhe, Ji Woong Lim, Beoung-Geon Park, more

Journal of Computer-Aided Molecular Design > 2017 > 31 > 10 > 929-941

Cyclophilin D (CypD) is a mitochondria-specific cyclophilin that is known to play a pivotal role in the formation of the mitochondrial permeability transition pore (mPTP).The formation and opening of the mPTP disrupt mitochondrial homeostasis, cause mitochondrial dysfunction and eventually lead to cell death. Several recent studies have found that CypD promotes the formation of the mPTP upon binding...

article

In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level

Insun Park, Yu Jin Hwang, TaeHun Kim, Ambily Nath Indu Viswanath, more

Journal of Computer-Aided Molecular Design > 2017 > 31 > 10 > 877-889

ERG-associated protein with the SET domain (ESET/SET domain bifurcated 1/SETDB1/KMT1E) is a histone lysine methyltransferase (HKMT) and it preferentially tri-methylates lysine 9 of histone H3 (H3K9me3). SETDB1/ESET leads to heterochromatin condensation and epigenetic gene silencing. These functional changes are reported to correlate with Huntington’s disease (HD) progression and mood-related disorders...

article

Toll‐like receptor 2 antagonists identified through virtual screening and experimental validation

Prasannavenkatesh Durai, Hyeon‐Jun Shin, Asma Achek, Hyuk‐Kwon Kwon, more

The FEBS Journal > 284 > 14 > 2264 - 2283

Toll‐like receptor 2 (TLR2) antagonists are key therapeutic targets because they inhibit several inflammatory diseases caused by surplus TLR2 activation. In this study, we identified two novel nonpeptide TLR2 antagonists, C11 and C13, through pharmacophore‐based virtual screening. At 10 μm, the level of interleukin (IL)‐8 inhibition by C13 and C11 in human embryonic kidney TLR2 overexpressing cells...

article

Development of pharmacophore-based classification model for activators of constitutive androstane receptor

Kyungro Lee, Hwan You, Jiwon Choi, Kyoung Tai No

Drug Metabolism and Pharmacokinetics > 2017 > 32 > 3 > 172-178

Constitutive androstane receptor (CAR) is predominantly expressed in the liver and is important for regulating drug metabolism and transport. Despite its biological importance, there have been few attempts to develop in silico models to predict the activity of CAR modulated by chemical compounds. The number of in silico studies of CAR may be limited because of CAR's constitutive activity under normal...

article

Structural insight into the antiprion compound inhibition mechanism of native prion folding over misfolding

Jiwon Choi, Rajiv Gandhi Govindaraj, Jae Wook Hyeon, Kyungro Lee, more

Chemical Biology & Drug Design > 89 > 6 > 907 - 917

Transition of a physiological folded prion (PrP^C) into a pathogenic misfolded prion (PrP^S^c) causes lethal neurodegenerative disorders and prion diseases. Antiprion compounds have been developed to prevent this conversion; however, their mechanism of action remains unclear. Recently, we reported two antiprion compounds, BMD29 and BMD35, identified by in silico and in vitro screening. In this study,...

article

Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist

Nam-Chul Cho, Seoung-Hwan Seo, Dohee Kim, Ji-Sun Shin, more

Journal of Computer-Aided Molecular Design > 2016 > 30 > 8 > 625-637

Protease-activated receptor 2 (PAR₂) is a G protein-coupled receptor, mediating inflammation and pain signaling in neurons, thus it is considered to be a potential therapeutic target for inflammatory diseases. In this study, we performed a ligand-based virtual screening of 1.6 million compounds by employing a common-feature pharmacophore model and two-dimensional similarity search to identify a new...

article

Identification of small-molecule compounds targeting the dishevelled PDZ domain by virtual screening and binding studies

Jiwon Choi, SongLing Ma, Hyun-Yi Kim, Ji-Hye Yun, more

Bioorganic & Medicinal Chemistry > 2016 > 24 > 15 > 3259-3266

The Dishevelled (Dvl) protein, which conveys signals from receptors to the downstream effectors, is a critical constituent of the Wnt/β-catenin signaling pathway. Because the PDZ domain of Dvl protein functions through associations with a wide range of protein partners, Dvl protein involved in the Wnt signaling pathway has been considered to be therapeutic targets in cancers. In this study, we performed...

article

Quantitative Structure–Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p‐Xylene Mixtures: Application to Binary and Ternary Mixtures as Extractive Agents

Young‐Mook Kang, Yukwon Jeon, Sung Bo Hwang, Hyun Kil Shin, more

Bulletin of the Korean Chemical Society > 37 > 4 > 548 - 555

Ethylbenzene (EB) and p‐xylene (PX) are important chemicals for the production of industrial materials; accordingly, their efficient separation is desired, even though the difference in their boiling points is very small. This paper describes the efforts toward the identification of high‐performance extractive agents for EB and PX separation by distillation. Most high‐performance extractive agents...

article

Inhibition of cancer cell invasion by new ((3,4-dihydroxy benzylidene)hydrazinyl)pyridine-3-sulfonamide analogs

Seong-Mook Kang, Ky-Youb Nam, Seung-Youn Jung, Kyung-Hee Song, more

Bioorganic & Medicinal Chemistry Letters > 2016 > 26 > 4 > 1322-1328

Rab GTPases regulate various types of intracellular membrane trafficking in all eukaryotes. Since Rab27a and its multiple effectors are involved in exocytosis of lysosome-related organelles and play a major role in malignancy, compounds targeting Rab27a could be likely used to inhibit invasive growth and tumor metastasis. Thus, we designed and synthesized several compounds based on the previously...

article

Novel Scaffold Identification of mGlu1 Receptor Negative Allosteric Modulators Using a Hierarchical Virtual Screening Approach

Jae Wan Jang, Nam‐Chul Cho, Sun‐Joon Min, Yong Seo Cho, more

Chemical Biology & Drug Design > 87 > 2 > 239 - 256

Metabotropic glutamate receptor 1 (mGluR1) is considered as an attractive drug target for neuropathic pain treatments. The hierarchical virtual screening approach for identifying novel scaffolds of mGluR1 allosteric modulators was performed using a homology model built with the dopamine D3 crystal structure as template. The mGluR1 mutagenesis data, conserved amino acid sequences across class A and...

article

Comparison of the Wound‐Healing Effects of Ginsenosides, their Metabolites, and Aglycones

Jun Yeon Park, Hwan You, Dahae Lee, Wonsang Huh, more

Bulletin of the Korean Chemical Society > 37 > 1 > 52 - 55

The effect of ginsenosides, their metabolites, and aglycones on tube formation in human umbilical vein vascular endothelial cells (HUVEC) was investigated to identify ways to potentially enhance wound healing. Of the tested compounds, sapogenins, aglycones of ginsenosides, promoted tube formation, whereas ginsenosides and their metabolites had no effect or inhibitory effects on tube formation. Treatment...

article

Discovery of 2-aryloxy-4-amino-quinazoline derivatives as novel protease-activated receptor 2 (PAR2) antagonists

Nam-Chul Cho, Ji Hyoun Cha, Hyojin Kim, Jinsook Kwak, more

Bioorganic & Medicinal Chemistry > 2015 > 23 > 24 > 7717-7727

Protease-activated receptor 2 (PAR₂) is a member of G protein-coupled receptor and its activation initiates diverse inflammatory responses. Recent studies suggest that antagonists of PAR₂ may provide a novel therapeutic strategy for inflammatory diseases. In this study, we have developed a series of 2-aryloxy-4-amino-quinazoline derivatives as PAR₂ antagonists and examined their effects against LPS-induced...

article

Computational classification models for predicting the interaction of compounds with hepatic organic ion importers

Hwan You, Kyungro Lee, Sangwon Lee, Sung Bo Hwang, more

Drug Metabolism and Pharmacokinetics > 2015 > 30 > 5 > 347-351

Hepatic transporters, a major determinant of pharmacokinetics, have been used to profile drug properties like efficacy. Among hepatic transporters, importers alter the concentration of the drug by facilitating the transport of a drug into a cell. Despite vast pharmacokinetic studies, the interacting mechanisms of the importers with its substrates or inhibitors are not well understood. Hence, we developed...

article

The natural phytochemical dehydroabietic acid is an anti-aging reagent that mediates the direct activation of SIRT1

Juewon Kim, Young-Gyu Kang, Jee-young Lee, Dong-hwa Choi, more

Molecular and Cellular Endocrinology > 2015 > 412 > Complete > 216-225

Dehydroabietic acid (DAA) is a naturally occurring diterpene resin acid of confers, such as pinus species (P. densiflora, P. sylvestris) and grand fir (Abies grandis), and it induces various biological actions including antimicrobial, antiulcer, and cardiovascular activities. The cellular targets that mediate these actions are largely unknown yet. In this report, we suggest that DAA is an anti-aging...

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Search results for: Kyoung Tai No

Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content

Identification and characterization of saikosaponins as antagonists of transient receptor potential A1 channel

Discovery of a small-molecule inhibitor of Dvl–CXXC5 interaction by computational approaches

Natural products used as a chemical library for protein–protein interaction targeted drug discovery

Assessment of some (Q)SAR-based alternative methods of harmful chemicals and its systematization to support the activities facing regional regulations

Toxicity prediction modeling study for manufactured nanoparticles: Nano-toxicity relationships for human health and environment endpoints

Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction

In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level

Toll‐like receptor 2 antagonists identified through virtual screening and experimental validation

Development of pharmacophore-based classification model for activators of constitutive androstane receptor

Structural insight into the antiprion compound inhibition mechanism of native prion folding over misfolding

Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist

Identification of small-molecule compounds targeting the dishevelled PDZ domain by virtual screening and binding studies

Quantitative Structure–Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p‐Xylene Mixtures: Application to Binary and Ternary Mixtures as Extractive Agents

Inhibition of cancer cell invasion by new ((3,4-dihydroxy benzylidene)hydrazinyl)pyridine-3-sulfonamide analogs

Novel Scaffold Identification of mGlu1 Receptor Negative Allosteric Modulators Using a Hierarchical Virtual Screening Approach

Comparison of the Wound‐Healing Effects of Ginsenosides, their Metabolites, and Aglycones

Discovery of 2-aryloxy-4-amino-quinazoline derivatives as novel protease-activated receptor 2 (PAR2) antagonists

Computational classification models for predicting the interaction of compounds with hepatic organic ion importers

The natural phytochemical dehydroabietic acid is an anti-aging reagent that mediates the direct activation of SIRT1

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