Development of selective and reversible pyrazoline based MAO-A inhibitors: Synthesis, biological evaluation and docking studies.
3,5-Diaryl pyrazolines analogs were synthesized and evaluated for their monoamine oxidase (MAO) inhibitory activity. The compounds were found reversible and selective towards MAO-A with selectivity index in the magnitude of 10(3)-10(5). The docking studies were carried out to gain further structural insights of the binding mode and possible interactions with the active site of MAO-A. Interestingly, the theoretical (K(i)) values obtained by molecular docking studies were in congruence with their experimental (K(i)) values.
Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi 835215, India.
Muthukumar
M
Karuppasamy
Manojkumar
M
Mahapatra
Samiye
S
Yabanoglu
Gulberk
G
Ucar
Barij Nayan
BN
Sinha
Arijit
A
Basu
Nibha
N
Mishra
Ashoke
A
Sharon
Umasankar
U
Kulandaivelu
Venkatesan
V
Jayaprakash
D000818:Animals; D001665:Binding Sites; D003198:Computer Simulation; D007700:Kinetics; D008995:Monoamine Oxidase / Q000737:chemistry* / Q000378:metabolism; D008996:Monoamine Oxidase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D011720:Pyrazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D051381:Rats; D013329:Structure-Activity Relationship
D008996:Monoamine Oxidase Inhibitors; D011720:Pyrazoles; D008995:Monoamine Oxidase