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

ERDEM, SAFİYE; Turkkan, Seyhan; YELEKÇİ, Kemal; GÖKHAN KELEKÇİ, NESRİN

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

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ERDEM S., Turkkan S., YELEKÇİ K., GÖKHAN KELEKÇİ N.

JOURNAL OF NEURAL TRANSMISSION, vol.120, no.6, pp.859-862, 2013 (SCI-Expanded)

Publication Type: Article / Article
Volume: 120 Issue: 6
Publication Date: 2013
Doi Number: 10.1007/s00702-012-0950-4
Journal Name: JOURNAL OF NEURAL TRANSMISSION
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.859-862
Keywords: N-substituted pyrazolines, Docking, PM6, MONOAMINE-OXIDASE-B, AROMATIC CAGE, INHIBITORS, MECHANISM
Hacettepe University Affiliated: Yes

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.