Computational determination of hERG-related cardiotoxicity of drug candidates.

Journal: BMC bioinformatics
PMID: 31138104

Abstract

BACKGROUND: Drug candidates often cause an unwanted blockage of the potassium ion channel of the human ether-a-go-go-related gene (hERG). The blockage leads to long QT syndrome (LQTS), which is a severe life-threatening cardiac side effect. Therefore, a virtual screening method to predict drug-induced hERG-related cardiotoxicity could facilitate drug discovery by filtering out toxic drug candidates.

Authors

  • Hyang-Mi Lee
    School of integrative engineering, Chung-Ang University, Seoul, Republic of Korea.
  • Myeong-Sang Yu
    School of integrative engineering, Chung-Ang University, Seoul, Republic of Korea.
  • Sayada Reemsha Kazmi
    School of integrative engineering, Chung-Ang University, Seoul, Republic of Korea.
  • Seong Yun Oh
    School of integrative engineering, Chung-Ang University, Seoul, Republic of Korea.
  • Ki-Hyeong Rhee
    College of Industrial Sciences, Kongju National University, Yesan, Republic of Korea.
  • Myung-Ae Bae
    Bio-based Technology Research Center, Korea Research Institute of Chemical Technology, 141 Gajeong-ro, Yuseong, Daejeon, 34114, Republic of Korea.
  • Byung Ho Lee
    Information-based Drug Research Center, Korea Research Institute of Chemical Technology, 141 Gajeong-ro, Yuseong, Daejeon, 34114, Republic of Korea.
  • Dae-Seop Shin
    Bio-based Technology Research Center, Korea Research Institute of Chemical Technology, 141 Gajeong-ro, Yuseong, Daejeon, 34114, Republic of Korea.
  • Kwang-Seok Oh
    Information-based Drug Research Center, Korea Research Institute of Chemical Technology, 141 Gajeong-ro, Yuseong, Daejeon, 34114, Republic of Korea.
  • Hyithaek Ceong
    Department of Multimedia, Chonnam National University, Yeosu, Republic of Korea.
  • Donghyun Lee
    Department of Business Administration, Korea Polytechnic University, 237, Sangidaehak-ro, Siheung-si, Gyeonggi-do 15073, Korea. madeby2@gmail.com.
  • Dokyun Na
    School of integrative engineering, Chung-Ang University, Seoul, Republic of Korea. blisszen@cau.ac.kr.

Keywords

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