Exploration of Virtual Candidates for Human HMG-CoA Reductase Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations

Minky Son; Ayoung Baek; Sugunadevi Sakkiah; Chanin Park; Shalini John; Keun Woo Lee

doi:10.1371/journal.pone.0083496

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Peer-reviewed

Research Article

Exploration of Virtual Candidates for Human HMG-CoA Reductase Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations

Minky Son ,

Contributed equally to this work with: Minky Son, Ayoung Baek

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Gazwa-dong, Jinju, Republic of Korea
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Ayoung Baek ,

Contributed equally to this work with: Minky Son, Ayoung Baek

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Gazwa-dong, Jinju, Republic of Korea
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Sugunadevi Sakkiah,

Affiliation Department of Chemistry and Biochemistry, University of California Los Angeles, Los Angeles, California, United States of America
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Chanin Park,

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Gazwa-dong, Jinju, Republic of Korea
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Shalini John,

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Gazwa-dong, Jinju, Republic of Korea
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Keun Woo Lee

* E-mail: kwlee@gnu.ac.kr

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Gazwa-dong, Jinju, Republic of Korea
⨯

Exploration of Virtual Candidates for Human HMG-CoA Reductase Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations

Minky Son,
Ayoung Baek,
Sugunadevi Sakkiah,
Chanin Park,
Shalini John,
Keun Woo Lee

Published: December 30, 2013
https://doi.org/10.1371/journal.pone.0083496

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