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

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

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

Publication Type: Article / Article
Volume: 120 Issue: 6
Publication Date: 2013
Doi Number: 10.1007/s00702-012-0950-4
Title of Journal : JOURNAL OF NEURAL TRANSMISSION
Page Numbers: pp.859-862

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.