Pharmacophore modeling, virtual screening, and in vitro testing reveal haloperidol, eprazinone, and fenbutrazate as neurokinin receptors ligands.

Yvonne Krautscheid; Carl Johann Åke Senning; Simone B Sartori; Nicolas Singewald; Daniela Brigitte Schuster; Hermann Stuppner

doi:10.1021/ci500106z

Pharmacophore modeling, virtual screening, and in vitro testing reveal haloperidol, eprazinone, and fenbutrazate as neurokinin receptors ligands.

Yvonne Krautscheid
, Carl Johann Åke Senning
, Simone B Sartori
, Nicolas Singewald
, Daniela Brigitte Schuster
, Hermann Stuppner

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

13 Citations (Web of Science)

Original language	English
Pages (from-to)	1747-1757
Journal	JOURNAL OF CHEMICAL INFORMATION AND MODELING
Volume	54
Issue number	6
DOIs	https://doi.org/10.1021/ci500106z
Publication status	Published - 2014

Keywords

TACHYKININ RECEPTORS
NK1 RECEPTOR
SUBSTANCE-P
SELECTIVE ANTAGONISTS
CONFORMER GENERATION
POTENT
DESIGN
IDENTIFICATION
MIMETICS
VALIDATION

Access to Document

10.1021/ci500106z

Cite this

@article{ab2857cc33fa46689e96a736e016de71,

title = "Pharmacophore modeling, virtual screening, and in vitro testing reveal haloperidol, eprazinone, and fenbutrazate as neurokinin receptors ligands.",

keywords = "TACHYKININ RECEPTORS, NK1 RECEPTOR, SUBSTANCE-P, SELECTIVE ANTAGONISTS, CONFORMER GENERATION, POTENT, DESIGN, IDENTIFICATION, MIMETICS, VALIDATION",

author = "Yvonne Krautscheid and Senning, \{Carl Johann {\AA}ke\} and Sartori, \{Simone B\} and Nicolas Singewald and Schuster, \{Daniela Brigitte\} and Hermann Stuppner",

year = "2014",

doi = "10.1021/ci500106z",

language = "English",

volume = "54",

pages = "1747--1757",

journal = "JOURNAL OF CHEMICAL INFORMATION AND MODELING",

issn = "1549-9596",

number = "6",

}

Pharmacophore modeling, virtual screening, and in vitro testing reveal haloperidol, eprazinone, and fenbutrazate as neurokinin receptors ligands. / Krautscheid, Yvonne; Senning, Carl Johann Åke; Sartori, Simone B et al.
In: JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol. 54, No. 6, 2014, p. 1747-1757.

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

TY - JOUR

T1 - Pharmacophore modeling, virtual screening, and in vitro testing reveal haloperidol, eprazinone, and fenbutrazate as neurokinin receptors ligands.

AU - Krautscheid, Yvonne

AU - Senning, Carl Johann Åke

AU - Sartori, Simone B

AU - Singewald, Nicolas

AU - Schuster, Daniela Brigitte

AU - Stuppner, Hermann

PY - 2014

Y1 - 2014

KW - TACHYKININ RECEPTORS

KW - NK1 RECEPTOR

KW - SUBSTANCE-P

KW - SELECTIVE ANTAGONISTS

KW - CONFORMER GENERATION

KW - POTENT

KW - DESIGN

KW - IDENTIFICATION

KW - MIMETICS

KW - VALIDATION

U2 - 10.1021/ci500106z

DO - 10.1021/ci500106z

M3 - Original Article

C2 - 24849814

SN - 1549-9596

VL - 54

SP - 1747

EP - 1757

JO - JOURNAL OF CHEMICAL INFORMATION AND MODELING

JF - JOURNAL OF CHEMICAL INFORMATION AND MODELING

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ER -