Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: Docking and quantum chemical calculations

Safiye Saǧ Erdem; Seyhan Türkkan; Kemal Yelekçi; Nesrin Gökhan-Kelekçi

doi:10.1007/s00702-012-0950-4

Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: Docking and quantum chemical calculations

Safiye Saǧ Erdem
, Seyhan Türkkan
, Kemal Yelekçi
, Nesrin Gökhan-Kelekçi

Division of Pharmaceutical Chemistry (Pharmacy)

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

7 Citations (Scopus)

Abstract

The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools.

Original language	English
Pages (from-to)	859-862
Number of pages	4
Journal	Journal of Neural Transmission
Volume	120
Issue number	6
DOIs	https://doi.org/10.1007/s00702-012-0950-4
Publication status	Published - Jun 2013

UN SDGs

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

SDG 3 Good Health and Well-being

Keywords

Docking
N-substituted pyrazolines
PM6

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10.1007/s00702-012-0950-4

Cite this

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title = "Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: Docking and quantum chemical calculations",

abstract = "The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools.",

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doi = "10.1007/s00702-012-0950-4",

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T2 - Docking and quantum chemical calculations

AU - Erdem, Safiye Saǧ

AU - Türkkan, Seyhan

AU - Yelekçi, Kemal

AU - Gökhan-Kelekçi, Nesrin

PY - 2013/6

Y1 - 2013/6

N2 - The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools.

AB - The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools.

KW - Docking

KW - N-substituted pyrazolines

KW - PM6

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U2 - 10.1007/s00702-012-0950-4

DO - 10.1007/s00702-012-0950-4

M3 - Article

C2 - 23242742

AN - SCOPUS:84878677014

SN - 0300-9564

VL - 120

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JO - Journal of Neural Transmission

JF - Journal of Neural Transmission

IS - 6

ER -

Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: Docking and quantum chemical calculations

Abstract

UN SDGs

Keywords

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