In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance.

Teresa Kaserer; Martina Höferl; Klara Müller; Sebastian Elmer; Markus Ganzera; Walter Jäger; Daniela Brigitte Schuster

doi:10.1002/minf.201400192

In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance.

Teresa Kaserer, Martina Höferl, Klara Müller, Sebastian Elmer, Markus Ganzera, Walter Jäger, Daniela Brigitte Schuster

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

16 Citations (Web of Science)

Original language	English
Pages (from-to)	431-457
Journal	MOLECULAR INFORMATICS
Volume	34
Issue number	6-7
DOIs	https://doi.org/10.1002/minf.201400192
Publication status	Published - 2015

Keywords

HUMAN CYTOCHROME-P450 ENZYMES
GENETIC ALGORITHM
CONFORMER GENERATION
PHARMACOPHORE MODEL
MAJOR LIGNAN
P450 1A1
DOCKING
PROTEIN
METABOLISM
DISCOVERY

Access to Document

10.1002/minf.201400192

Cite this

@article{d629524c538942dc907f8c170f157659,

title = "In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance.",

keywords = "HUMAN CYTOCHROME-P450 ENZYMES, GENETIC ALGORITHM, CONFORMER GENERATION, PHARMACOPHORE MODEL, MAJOR LIGNAN, P450 1A1, DOCKING, PROTEIN, METABOLISM, DISCOVERY",

author = "Teresa Kaserer and Martina H{\"o}ferl and Klara M{\"u}ller and Sebastian Elmer and Markus Ganzera and Walter J{\"a}ger and Schuster, {Daniela Brigitte}",

year = "2015",

doi = "10.1002/minf.201400192",

language = "English",

volume = "34",

pages = "431--457",

journal = "MOLECULAR INFORMATICS",

issn = "1868-1743",

number = "6-7",

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TY - JOUR

T1 - In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance.

AU - Kaserer, Teresa

AU - Höferl, Martina

AU - Müller, Klara

AU - Elmer, Sebastian

AU - Ganzera, Markus

AU - Jäger, Walter

AU - Schuster, Daniela Brigitte

PY - 2015

Y1 - 2015

KW - HUMAN CYTOCHROME-P450 ENZYMES

KW - GENETIC ALGORITHM

KW - CONFORMER GENERATION

KW - PHARMACOPHORE MODEL

KW - MAJOR LIGNAN

KW - P450 1A1

KW - DOCKING

KW - PROTEIN

KW - METABOLISM

KW - DISCOVERY

U2 - 10.1002/minf.201400192

DO - 10.1002/minf.201400192

M3 - Original Article

C2 - 27490388

SN - 1868-1743

VL - 34

SP - 431

EP - 457

JO - MOLECULAR INFORMATICS

JF - MOLECULAR INFORMATICS

IS - 6-7

ER -