• 2501 Citations
  • 28 h-Index
1981 …2020

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2020

BMD42-2910, a novel benzoxazole derivative, shows a potent anti-prion activity and prolongs the mean survival in an animal model of prion disease

Hyeon, J. W., Noh, R., Choi, J., Lee, S. M., Lee, Y. S., An, S. S. A., No, K. T. & Lee, J., 2020 Jan 1, In : Experimental Neurobiology. 29, 1, p. 93-105 13 p.

Research output: Contribution to journalArticle

Open Access

BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds

Lee, S., Hwang, S., Seo, M., Shin, K. B., Kim, K. H., Park, G. W., Kim, J. Y., Yoo, J. S. & No, K. T., 2020 Sep, In : Phytochemistry. 177, 112427.

Research output: Contribution to journalArticle

Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development

Seo, M., Shin, H. K., Myung, Y., Hwang, S. & No, K. T., 2020 Jan 22, In : Journal of Cheminformatics. 12, 1, 6.

Research output: Contribution to journalArticle

Open Access

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

Lee, G., Choi, J., Nam, Y. J., Song, M. J., Kim, J. K., Kim, W. J., Kim, P., Lee, J. S., Kim, S., No, K. T., Lee, J. H., Lee, J. K. & Choi, Y., 2020 Apr 1, In : Phytotherapy Research. 34, 4, p. 788-795 8 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking

Hwang, S. B., Lee, C. J., Lee, S., Ma, S., Kang, Y. M., Cho, K. H., Kim, S. Y., Kwon, O. Y., Yoon, C. N., Kang, Y. K., Yoon, J. H., Nam, K. Y., Kim, S. G., In, Y., Chai, H. H., Acree, W. E., Grant, J. A., Gibson, K. D., Jhon, M. S., Scheraga, H. A. & 1 others, No, K. T., 2020 Feb 13, In : Journal of Physical Chemistry B. 124, 6, p. 974-989 16 p.

Research output: Contribution to journalArticle

Open Access

PreMetabo: An in silico phase I and II drug metabolism prediction platform

Hwang, S., Shin, H. K., Shin, S. E., Seo, M., Jeon, H. N., Yim, D. E., Kim, D. H. & No, K. T., 2020 Aug, In : Drug Metabolism and Pharmacokinetics. 35, 4, p. 361-367 7 p.

Research output: Contribution to journalArticle

Tyrosinase-targeting gallacetophenone inhibits melanogenesis in melanocytes and human skin-equivalents

Lee, J. Y., Lee, J., Min, D., Kim, J., Kim, H. J. & No, K. T., 2020 May 1, In : International journal of molecular sciences. 21, 9, 3144.

Research output: Contribution to journalArticle

Open Access
2019

Investigation of Hot Spot Region in XIAP Inhibitor Binding Site by Fragment Molecular Orbital Method

Lim, H., Jin, X., Kim, J., Hwang, S., Shin, K. B., Choi, J., Nam, K. Y. & No, K. T., 2019, In : Computational and Structural Biotechnology Journal. 17, p. 1217-1225 9 p.

Research output: Contribution to journalArticle

Open Access
1 Citation (Scopus)

Investigation of protein-protein interactions and hot spot region between PD-1 and PD-L1 by fragment molecular orbital method

Lim, H., Chun, J., Jin, X., Kim, J., Yoon, J. H. & No, K. T., 2019 Dec 1, In : Scientific reports. 9, 1, 16727.

Research output: Contribution to journalArticle

Open Access
4 Citations (Scopus)
2018

Application of the fragment molecular orbital method to discover novel natural products for prion disease

Choi, J., Kim, H. J., Jin, X., Lim, H., Kim, S., Roh, I. S., Kang, H. E., No, K. T. & Sohn, H. J., 2018 Dec 1, In : Scientific reports. 8, 1, 13063.

Research output: Contribution to journalArticle

8 Citations (Scopus)

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

Ma, S., Choi, J., Jin, X., Kim, H. Y., Yun, J. H., Lee, W., Choi, K. Y. & No, K. T., 2018 May 1, In : Journal of Computer-Aided Molecular Design. 32, 5, p. 643-655 13 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Identification of natural products as novel PI3Kβ inhibitors through pharmacophore-based virtual screening

Jin, X., Kwon, W., Kim, T. S., Heo, J. N., Chung, H. C., Choi, J. & No, K. T., 2018 Mar, In : Bulletin of the Korean Chemical Society. 39, 3, p. 294-299 6 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model

Ma, S., Hwang, S., Lee, S., Acree, W. E. & No, K. T., 2018 Apr 23, In : Journal of Chemical Information and Modeling. 58, 4, p. 761-772 12 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

In silico discovery of quinoxaline derivatives as novel LRP5/6-sclerostin interaction inhibitors

Choi, J., Lee, K., Kang, M., Lim, S. K. & Tai No, K., 2018 Apr 1, In : Bioorganic and Medicinal Chemistry Letters. 28, 6, p. 1116-1121 6 p.

Research output: Contribution to journalArticle

Meta-analysis of: Daphnia magna nanotoxicity experiments in accordance with test guidelines

Shin, H. K., Seo, M., Shin, S. E., Kim, K. Y., Park, J. W. & No, K. T., 2018 Jan 1, In : Environmental Science: Nano. 5, 3, p. 765-775 11 p.

Research output: Contribution to journalArticle

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

Jin, X., Lee, K., Kim, N. H., Kim, H. S., Yook, J. I., Choi, J. & No, K. T., 2018 Jan, In : Journal of Molecular Graphics and Modelling. 79, p. 46-58 13 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)
2017

Comparison of Three-Dimensional Ligand-based Pharmacophores among 11 Phosphodiesterases (PDE 1 to PDE 11) Pharmacophores

Kim, S. H., Choi, J., Lee, K. & No, K. T., 2017 Sep, In : Bulletin of the Korean Chemical Society. 38, 9, p. 1033-1037 5 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

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

Lee, K., You, H., Choi, J. & No, K. T., 2017 Jun, In : Drug Metabolism and Pharmacokinetics. 32, 3, p. 172-178 7 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

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

Park, I., Londhe, A. M., Lim, J. W., Park, B. G., Jung, S. Y., Lee, J. Y., Lim, S. M., No, K. T., Lee, J. & Pae, A. N., 2017 Oct 1, In : Journal of Computer-Aided Molecular Design. 31, 10, p. 929-941 13 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Inhibition of collagenase and melanogenesis by ethanol extracts of Orostachys japonicus A. Berger: Possible involvement of Erk and Akt signaling pathways in melanoma cells

Im, D. S., Lee, J. M., Lee, J., Shin, H. J., No, K. T., Park, S. H. & Kim, K., 2017 Oct 1, In : Acta biochimica et biophysica Sinica. 49, 10, p. 945-953 9 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

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

Park, I., Hwang, Y. J., Kim, T. H., Viswanath, A. N. I., Londhe, A. M., Jung, S. Y., Sim, K. M., Min, S. J., Lee, J. E., Seong, J., Kim, Y. K., No, K. T., Ryu, H. & Pae, A. N., 2017 Oct 1, In : Journal of Computer-Aided Molecular Design. 31, 10, p. 877-889 13 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Niclosamide is a potential therapeutic for familial adenomatosis polyposis by disrupting Axin-GSK3 interaction

Ahn, S. Y., Kim, N. H., Lee, K., Cha, Y. H., Yang, J. H., Cha, S. Y., Cho, E. S., Lee, Y., Cha, J. S., Cho, H. S., Jeon, Y., Yuk, Y. S., Cho, S., No, K. T., Kim, H. S., Lee, H., Choi, J. & Yook, J. I., 2017, In : Oncotarget. 8, 19, p. 31842-31855 14 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

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

Choi, J., Govindaraj, R. G., Hyeon, J. W., Lee, K., Ma, S. L., Kim, S. Y., Lee, J. & No, K. T., 2017 Jun 1, In : Chemical Biology and Drug Design. 89, 6, p. 907-917 11 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

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

Durai, P., Shin, H. J., Achek, A., Kwon, H. K., Govindaraj, R. G., Panneerselvam, S., Yesudhas, D., Choi, J., No, K. T. & Choi, S., 2017 Jul 1, In : FEBS Journal. 284, 14, p. 2264-2283 20 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
3 Citations (Scopus)
2016

Comparison of the wound-healing effects of ginsenosides, their metabolites, and aglycones

Park, J. Y., You, H., Lee, D., Huh, W., Hwang, G. S., No, K. T., Kim, K. H., Ham, J., Yamabe, N., Kim, Y. & Kang, K. S., 2016 Jan 1, In : Bulletin of the Korean Chemical Society. 37, 1, p. 52-55 4 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Identification of a Small Benzamide Inhibitor of Influenza Virus Using a Cell-Based Screening

Shin, W. J., Nam, K. Y., Kim, N. D., Kim, S. H., No, K. T. & Seong, B. L., 2016 Apr 1, In : Chemotherapy. 61, 3, p. 159-166 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

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

Choi, J., Ma, S. L., Kim, H. Y., Yun, J. H., Heo, J. N., Lee, W., Choi, K. Y. & No, K. T., 2016 Jan 1, In : Bioorganic and Medicinal Chemistry. 24, 15, p. 3259-3266 8 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

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

Kang, S. M., Nam, K. Y., Jung, S. Y., Song, K. H., Kho, S., No, K. T., Choi, H. K. & Song, J. Y., 2016 Feb 15, In : Bioorganic and Medicinal Chemistry Letters. 26, 4, p. 1322-1328 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

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

Jang, J. W., Cho, N. C., Min, S. J., Cho, Y. S., Park, K. D., Seo, S. H., No, K. T. & Pae, A. N., 2016 Feb, In : Chemical Biology and Drug Design. 87, 2, p. 239-256 18 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

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

Cho, N. C., Seo, S. H., Kim, D., Shin, J. S., Ju, J., Seong, J., Seo, S. H., Lee, I., Lee, K. T., Kim, Y. K., No, K. T. & Pae, A. N., 2016 Aug 1, In : Journal of Computer-Aided Molecular Design. 30, 8, p. 625-637 13 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Quantitative structure-relative volatility relationship model for extractive distillation of ethylbenzene/p-xylene mixtures: Application to binary and ternary mixtures as extractive agents

Kang, Y. M., Jeon, Y., Hwang, S. B., Shin, H. K., Oh, K., Kim, M. S., Kim, N., You, H., Son, H., Chu, Y. H., Cho, K. H., Shul, Y. G. & No, K. T., 2016 Apr 1, In : Bulletin of the Korean Chemical Society. 37, 4, p. 548-555 8 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Small molecule inhibitors of the Dishevelled-CXXC5 interaction are new drug candidates for bone anabolic osteoporosis therapy

Kim, H. Y., Choi, S., Yoon, J. H., Lim, H. J., Lee, H., Choi, J., Ro, E. J., Heo, J. N., Lee, W., No, K. T. & Choi, K. Y., 2016 Apr 1, In : EMBO Molecular Medicine. 8, 4, p. 375-387 13 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)
2015

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

You, H., Lee, K., Lee, S., Hwang, S. B., Kim, K. Y., Cho, K. H. & No, K. T., 2015 Oct 10, In : Drug Metabolism and Pharmacokinetics. 30, 5, p. 347-351 5 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

CXXC5 is a negative-feedback regulator of the Wnt/β-catenin pathway involved in osteoblast differentiation

Kim, H. Y., Yoon, J. Y., Yun, J. H., Cho, K. W., Lee, S. H., Rhee, Y. M., Jung, H. S., Lim, H. J., Lee, H., Choi, J., Heo, J. N., Lee, W., No, K. T., Min, D. & Choi, K. Y., 2015 Jun 1, In : Cell Death and Differentiation. 22, 6, p. 912-920 9 p.

Research output: Contribution to journalArticle

29 Citations (Scopus)

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

Cho, N. C., Cha, J. H., Kim, H., Kwak, J., Kim, D., Seo, S. H., Shin, J. S., Kim, T., Park, K. D., Lee, J., No, K. T., Kim, Y. K., Lee, K. T. & Pae, A. N., 2015 Dec 15, In : Bioorganic and Medicinal Chemistry. 23, 24, p. 7717-7727 11 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Discovery of Novel Anti-prion Compounds Using In Silico and In Vitro Approaches

Hyeon, J. W., Choi, J., Kim, S. Y., Govindaraj, R. G., Hwang, K. J., Lee, Y. S., An, S. S. A., Lee, M. K., Joung, J. Y., No, K. T. & Lee, J., 2015 Oct 9, In : Scientific reports. 5, 14944.

Research output: Contribution to journalArticle

20 Citations (Scopus)

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

Kim, J., Kang, Y. G., Lee, J. Y., Choi, D. H., Cho, Y. U., Shin, J. M., Park, J. S., Lee, J. H., Kim, W. G., Seo, D. B., Lee, T. R., Miyamoto, Y. & No, K. T., 2015 Sep 5, In : Molecular and Cellular Endocrinology. 412, p. 216-225 10 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)
2014

An empirical model for gas phase acidity and basicity estimation

You, H., Kim, G. E., Na, C. H., Lee, S., Lee, C. J., Cho, K. H., Akiyama, Y., Ishida, T. & No, K. T., 2014 Feb, In : SAR and QSAR in Environmental Research. 25, 2, p. 91-115 25 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Darapladib binds to lipoprotein-associated phospholipase A2 with meaningful interactions

Do, K. R., Kim, C., Chang, B., An, S. S. A., Shin, J. M., Yea, S. J., Song, M. Y., No, K. T. & Lee, J. Y., 2014 Jan 20, In : Bulletin of the Korean Chemical Society. 35, 1, p. 250-252 3 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Discovery of (E)-5-(benzylideneamino)-1H-benzo[d]imidazol-2(3H)-one derivatives as inhibitors for PTK6

Shim, H. J., Yang, H. R., Kim, H. I., Kang, S. A., No, K. T., Jung, Y. H. & Lee, S. T., 2014 Oct 1, In : Bioorganic and Medicinal Chemistry Letters. 24, 19, p. 4659-4663 5 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Discovery of FAK inhibitors using structure based drug design

Nam, K. Y., Jin, D. H., No, K. T. & Ahn, S. K., 2014 Nov 20, In : Bulletin of the Korean Chemical Society. 35, 11, p. 3156-3157 2 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Identification of novel Rab27a/melanophilin blockers by pharmacophore-based virtual screening

Joung, J. Y., Lee, H. Y., Park, J., Lee, J. Y., Chang, B. H., No, K. T., Nam, K. Y. & Hwang, J. S., 2014 Feb, In : Applied Biochemistry and Biotechnology. 172, 4, p. 1882-1897 16 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)

In silico study on the interaction between p-glycoprotein and its inhibitors at the drug binding pocket

Kim, N., Shin, J. M. & No, K. T., 2014 Aug 20, In : Bulletin of the Korean Chemical Society. 35, 8, p. 2317-2325 9 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Quantitative structure relative volatility relationship model for extractive distillation of ethylbenzene/ p -xylene mixtures

Kang, Y. M., Jeon, Y., Lee, G., Son, H., Row, S. W., Choi, S., Seo, Y. J., Chu, Y. H., Shin, J. M., Shul, Y. G. & No, K. T., 2014 Jul 9, In : Industrial and Engineering Chemistry Research. 53, 27, p. 11159-11166 8 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
2013

A generalized G-SFED continuum solvation free energy calculation model

Lee, S., Cho, K. H., Kang, Y. M., Scheraga, H. A. & No, K. T., 2013 Feb 19, In : Proceedings of the National Academy of Sciences of the United States of America. 110, 8, p. E662-E667

Research output: Contribution to journalArticle

6 Citations (Scopus)

Descriptor-based profile analysis of kinase inhibitors to predict inhibitory activity and to grasp kinase selectivity

Park, H., Kim, K. K., Kim, C. H., Shin, J. M. & No, K. T., 2013 Sep 20, In : Bulletin of the Korean Chemical Society. 34, 9, p. 2680-2684 5 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Human nephrotoxicity prediction models for three types of kidney injury based on data sets of pharmacological compounds and their metabolites

Lee, S., Kang, Y. M., Park, H., Dong, M. S., Shin, J. M. & No, K. T., 2013 Nov 18, In : Chemical Research in Toxicology. 26, 11, p. 1652-1659 8 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Structure-based design and synthesis of C-1- and C-4-modified analogs of zanamivir as neuraminidase inhibitors

Feng, E., Shin, W. J., Zhu, X., Li, J., Ye, D., Wang, J., Zheng, M., Zuo, J. P., No, K. T., Liu, X., Zhu, W., Tang, W., Seong, B. L., Jiang, H. & Liu, H., 2013 Feb 14, In : Journal of Medicinal Chemistry. 56, 3, p. 671-684 14 p.

Research output: Contribution to journalArticle

31 Citations (Scopus)
2012

A small molecule inhibitor of Mitf-E-box DNA binding and its depigmenting effect in melan-a cells

Um, J. M., Kim, H. J., Lee, Y., Choi, C. H., Hoang Nguyen, D., Lee, H. B., Shin, J. H., Tai No, K. & Kim, E. K., 2012 Oct 1, In : Journal of the European Academy of Dermatology and Venereology. 26, 10, p. 1291-1297 7 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)