Experimentally validated HERG pharmacophore models as cardiotoxicity prediction tools.

Jadel M Kratz; Daniela Brigitte Schuster; Michael Edtbauer; Priyanka Saxena; Christina E Mair; Julia Kirchebner; Barbara Matuszczak; Igor Baburin; Steffen Hering; Judith M Rollinger

doi:10.1021/ci5001955

Experimentally validated HERG pharmacophore models as cardiotoxicity prediction tools.

Jadel M Kratz, Daniela Brigitte Schuster, Michael Edtbauer, Priyanka Saxena, Christina E Mair, Julia Kirchebner, Barbara Matuszczak, Igor Baburin, Steffen Hering, Judith M Rollinger

Research output: Contribution to journal › Original Article › peer-review

47 Citations (Web of Science)

Original language	English
Pages (from-to)	2887-2901
Journal	JOURNAL OF CHEMICAL INFORMATION AND MODELING
Volume	54
Issue number	10
DOIs	https://doi.org/10.1021/ci5001955
Publication status	Published - 2014

Keywords

MAMMALIAN-CELL LINE
LONG-QT-SYNDROME
POTASSIUM CHANNELS
ION-CHANNEL
K+ CHANNELS
CONFORMER GENERATION
DRUG DEVELOPMENT
SCREENING DATA
DE-POINTES
INHIBITION

Access to Document

10.1021/ci5001955

Cite this

@article{23daef6274bf4bf6a0c1be6276d3a28f,

title = "Experimentally validated HERG pharmacophore models as cardiotoxicity prediction tools.",

keywords = "MAMMALIAN-CELL LINE, LONG-QT-SYNDROME, POTASSIUM CHANNELS, ION-CHANNEL, K+ CHANNELS, CONFORMER GENERATION, DRUG DEVELOPMENT, SCREENING DATA, DE-POINTES, INHIBITION",

author = "Kratz, \{Jadel M\} and Schuster, \{Daniela Brigitte\} and Michael Edtbauer and Priyanka Saxena and Mair, \{Christina E\} and Julia Kirchebner and Barbara Matuszczak and Igor Baburin and Steffen Hering and Rollinger, \{Judith M\}",

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doi = "10.1021/ci5001955",

language = "English",

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T1 - Experimentally validated HERG pharmacophore models as cardiotoxicity prediction tools.

AU - Kratz, Jadel M

AU - Schuster, Daniela Brigitte

AU - Edtbauer, Michael

AU - Saxena, Priyanka

AU - Mair, Christina E

AU - Kirchebner, Julia

AU - Matuszczak, Barbara

AU - Baburin, Igor

AU - Hering, Steffen

AU - Rollinger, Judith M

PY - 2014

Y1 - 2014

KW - MAMMALIAN-CELL LINE

KW - LONG-QT-SYNDROME

KW - POTASSIUM CHANNELS

KW - ION-CHANNEL

KW - K+ CHANNELS

KW - CONFORMER GENERATION

KW - DRUG DEVELOPMENT

KW - SCREENING DATA

KW - DE-POINTES

KW - INHIBITION

U2 - 10.1021/ci5001955

DO - 10.1021/ci5001955

M3 - Original Article

C2 - 25148533

SN - 1549-9596

VL - 54

SP - 2887

EP - 2901

JO - JOURNAL OF CHEMICAL INFORMATION AND MODELING

JF - JOURNAL OF CHEMICAL INFORMATION AND MODELING

IS - 10

ER -