Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening

Patrick Markt; Rasmus K. Petersen; Esben N. Flindt; Karsten Krjstiansen; Johannes Kirchmair; Gudrun Spitzer; Simona Distinto; Daniela Schuster; Gerhard Wolber; Christian Laggner; Thierry Langer

doi:10.1021/jm800128k

Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening

Patrick Markt
, Rasmus K. Petersen
, Esben N. Flindt
, Karsten Krjstiansen
, Johannes Kirchmair
, Gudrun Spitzer
, Simona Distinto
, Daniela Schuster
, Gerhard Wolber
, Christian Laggner
, Thierry Langer

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	6303-6317
Number of pages	15
Journal	Journal of Medicinal Chemistry
Volume	51
Issue number	20
DOIs	https://doi.org/10.1021/jm800128k
Publication status	Published - 23 Oct 2008
Externally published	Yes

Austrian Fields of Science 2012

301207 Pharmaceutical chemistry

Keywords

PROLIFERATOR-ACTIVATED-RECEPTOR
FATTY-ACIDS
IN-VITRO
DELTA
GAMMA
ANTAGONIST
ALPHA
AGONIST
DRUGS

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1021/jm800128k

Cite this

Markt, P., Petersen, R. K., Flindt, E. N., Krjstiansen, K., Kirchmair, J., Spitzer, G., Distinto, S., Schuster, D., Wolber, G., Laggner, C., & Langer, T. (2008). Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening. Journal of Medicinal Chemistry, 51(20), 6303-6317. https://doi.org/10.1021/jm800128k

@article{d481c12bdbda40cea8fe0706a6f51bdb,

title = "Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening",

keywords = "PROLIFERATOR-ACTIVATED-RECEPTOR, FATTY-ACIDS, IN-VITRO, DELTA, GAMMA, ANTAGONIST, ALPHA, AGONIST, DRUGS",

author = "Patrick Markt and Petersen, \{Rasmus K.\} and Flindt, \{Esben N.\} and Karsten Krjstiansen and Johannes Kirchmair and Gudrun Spitzer and Simona Distinto and Daniela Schuster and Gerhard Wolber and Christian Laggner and Thierry Langer",

year = "2008",

month = oct,

day = "23",

doi = "10.1021/jm800128k",

language = "English",

volume = "51",

pages = "6303--6317",

journal = "Journal of Medicinal Chemistry",

issn = "0022-2623",

publisher = "AMER CHEMICAL SOC",

number = "20",

}

Markt, P, Petersen, RK, Flindt, EN, Krjstiansen, K, Kirchmair, J, Spitzer, G, Distinto, S, Schuster, D, Wolber, G, Laggner, C & Langer, T 2008, 'Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening', Journal of Medicinal Chemistry, vol. 51, no. 20, pp. 6303-6317. https://doi.org/10.1021/jm800128k

TY - JOUR

T1 - Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening

AU - Markt, Patrick

AU - Petersen, Rasmus K.

AU - Flindt, Esben N.

AU - Krjstiansen, Karsten

AU - Kirchmair, Johannes

AU - Spitzer, Gudrun

AU - Distinto, Simona

AU - Schuster, Daniela

AU - Wolber, Gerhard

AU - Laggner, Christian

AU - Langer, Thierry

PY - 2008/10/23

Y1 - 2008/10/23

KW - PROLIFERATOR-ACTIVATED-RECEPTOR

KW - FATTY-ACIDS

KW - IN-VITRO

KW - DELTA

KW - GAMMA

KW - ANTAGONIST

KW - ALPHA

KW - AGONIST

KW - DRUGS

U2 - 10.1021/jm800128k

DO - 10.1021/jm800128k

M3 - Article

SN - 0022-2623

VL - 51

SP - 6303

EP - 6317

JO - Journal of Medicinal Chemistry

JF - Journal of Medicinal Chemistry

IS - 20

ER -

Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening

Austrian Fields of Science 2012

Keywords

UN SDGs

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