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Electronic-temperature estimation of Joule-heated graphene via Raman investigations
Seo Minky,Kim Do-Hoon,Lee Jae-Hyun,Son Seok-Kyun 한국물리학회 2021 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.78 No.2
Temperature-dependent Raman scattering provides valuable information on electron–phonon coupling and phonon anharmonicity of graphene. In this study, we show an enhancement of Joule heating in graphene by confining the current flow in a narrow channel. In addition, we performed a detailed analysis of the anharmonic effect in the hBN/monolayer graphene/hBN heterostructure based on the behaviour of the full-width at half maximum of the G mode with increasing electric power: a non-monotonic trend, leading to the key of approximation of the electronic temperature in graphene. We believe our results could offer a convenient analysis tool to study electron–phonon coupling and anharmonic phonon-decay processes in a high-temperature regime.
Rampogu, Shailima,Son, Minky,Park, Chanin,Kim, Hyong-Ha,Suh, Jung-Keun,Lee, Keun Woo Hindawi 2017 BioMed research international Vol.2017 No.-
<P>Breast cancer is one of the leading causes of death noticed in women across the world. Of late the most successful treatments rendered are the use of aromatase inhibitors (AIs). In the current study, a two-way approach for the identification of novel leads has been adapted. 81 chemical compounds were assessed to understand their potentiality against aromatase along with the four known drugs. Docking was performed employing the CDOCKER protocol available on the Discovery Studio (DS v4.5). Exemestane has displayed a higher dock score among the known drug candidates and is labeled as reference. Out of 81 ligands 14 have exhibited higher dock scores than the reference. In the second approach, these 14 compounds were utilized for the generation of the pharmacophore. The validated four-featured pharmacophore was then allowed to screen Chembridge database and the potential Hits were obtained after subjecting them to Lipinski's rule of five and the ADMET properties. Subsequently, the acquired 3,050 Hits were escalated to molecular docking utilizing GOLD v5.0. Finally, the obtained Hits were consequently represented to be ideal lead candidates that were escalated to the MD simulations and binding free energy calculations. Additionally, the gene-disease association was performed to delineate the associated disease caused by CYP19A1.</P>
Kumar, Raj,Son, Minky,Bavi, Rohit,Lee, Yuno,Park, Chanin,Arulalapperumal, Venkatesh,Cao, Guang Ping,Kim, Hyong-ha,Suh, Jung-keun,Kim, Yong-seong,Kwon, Yong Jung,Lee, Keun Woo Springer Science and Business Media LLC 2015 Acta pharmacologica Sinica. Vol.36 No.8
<P>Recent evidence suggests that aldo-keto reductase family 1 B10 (AKR1B10) may be a potential diagnostic or prognostic marker of human tumors, and that AKR1B10 inhibitors offer a promising choice for treatment of many types of human cancers. The aim of this study was to identify novel chemical scaffolds of AKR1B10 inhibitors using in silico approaches.</P>
Thangapandian, Sundarapandian,John, Shalini,Son, Minky,Arulalapperumal, Venkatesh,Lee, Keun Woo Future Science 2013 Future medicinal chemistry Vol.5 No.1
<P>Human LTA4H catalyzes the conversion of LTA4 to LTB4 and plays a key role in innate immune responses. Inhibition of this enzyme can be a valid method in the treatment of inflammatory response exhibited through LTB4.</P>
Computational Exploration for Lead Compounds That Can Reverse the Nuclear Morphology in Progeria
Rampogu, Shailima,Baek, Ayoung,Son, Minky,Zeb, Amir,Park, Chanin,Kumar, Raj,Lee, Gihwan,Kim, Donghwan,Choi, Yeonuk,Cho, Yeongrae,Park, Yohan,Park, Seok Ju,Lee, Keun Woo Hindawi 2017 BioMed research international Vol.2017 No.-
<P>Progeria is a rare genetic disorder characterized by premature aging that eventually leads to death and is noticed globally. Despite alarming conditions, this disease lacks effective medications; however, the farnesyltransferase inhibitors (FTIs) are a hope in the dark. Therefore, the objective of the present article is to identify new compounds from the databases employing pharmacophore based virtual screening. Utilizing nine training set compounds along with lonafarnib, a common feature pharmacophore was constructed consisting of four features. The validated Hypo1 was subsequently allowed to screen Maybridge, Chembridge, and Asinex databases to retrieve the novel lead candidates, which were then subjected to Lipinski's rule of 5 and ADMET for drug-like assessment. The obtained 3,372 compounds were forwarded to docking simulations and were manually examined for the key interactions with the crucial residues. Two compounds that have demonstrated a higher dock score than the reference compounds and showed interactions with the crucial residues were subjected to MD simulations and binding free energy calculations to assess the stability of docked conformation and to investigate the binding interactions in detail. Furthermore, this study suggests that the Hits may be more effective against progeria and further the DFT studies were executed to understand their orbital energies.</P>
Saba, Evelyn,Lee, Yuan Yee,Kim, Minki,Hyun, Sun-Hee,Park, Chae-Kyu,Son, Eunjung,Kim, Dong-Seon,Kim, Sung-Dae,Rhee, Man Hee The Korean Society of Ginseng 2020 Journal of Ginseng Research Vol.44 No.6
Background: Ulcerative colitis (UC) is a commonly encountered large intestine disease in the contemporary world that terminates into colorectal cancer; therefore, the timely treatment of UC is of major concern. Panax ginseng Meyer is an extensively consumed herbal commodity in South East Asian countries, especially Korea. It exhibits a wide range of biologically beneficial qualities for almost head-to-toe ailments in the body. Epimedium koreanum Nakai (EKN) is also a widely used traditional Korean herbal medicine used for treating infertility, rheumatism, and cardiovascular diseases. Materials and methods: Separately the anti-inflammatory activities of both red ginseng extracts (RGEs) and EKNs had been demonstrated in the past in various inflammatory models; however, we sought to unravel the anti-inflammatory activities of the combination of these two extracts in dextran sulfate sodium (DSS)-induced ulcerative colitis in mice model because the allopathic remedies for UC involve more side effects than benefits. Results: Our results have shown that the combination of RGE + EKN synergistically alleviated the macroscopic lesions in DSS-induced colitic mice such as colon shortening, hematochezia, and weight loss. Moreover, it restored the histopathological lesions in mice and decreased the levels of proinflammatory mediators and cytokines through the repression of nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) and nucleotide-binding domain (NOD)-like receptor protein 3 (NLRP-3) expression. In vitro, this combination also reduced the magnitude of nitric acid (NO), proinflammatory mediators and cytokine through NF-κB and mitogen-activated protein kinase (MAPK) pathways in RAW 264.7 mouse macrophage cells. Conclusion: In the light of these findings, we can endorse this combination extract as a functional food for the prophylactic as well as therapeutic treatment of UC in humans together with allopathic remedies.