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

JOURNAL OF NEURAL TRANSMISSION, cilt.120, sa.6, ss.859-862, 2013 (SCI-Expanded, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 120 Sayı: 6
Basım Tarihi: 2013
Doi Numarası: 10.1007/s00702-012-0950-4
Dergi Adı: JOURNAL OF NEURAL TRANSMISSION
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.859-862
Anahtar Kelimeler: N-substituted pyrazolines, Docking, PM6, MONOAMINE-OXIDASE-B, AROMATIC CAGE, INHIBITORS, MECHANISM
Hacettepe Üniversitesi Adresli: Evet

Özet

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.