Title:Monoamine Oxidase Inhibition and Molecular Modeling Studies of Piperidyl-thienyl and 2-Pyrazoline Derivatives of Chalcones
VOLUME: 11 ISSUE: 5
Author(s):Sumera Zaib, Syed Umar Farooq Rizvi, Sana Aslam, Matloob Ahmad, Mariya al-Rashida and Jamshed Iqbal
Affiliation:Centre for Advanced Drug Research, COMSATS Institute of Information Technology, Abbottabad 22060, Pakistan.
Keywords:Antidepressant activity, molecular docking, monoamine oxidase, piperidyl-thienyl derivatives, quinolyl-thienyl
chalcones.
Abstract:A series of piperidyl-thienyl & 2-pyrazoline derivatives of quinolyl-thienyl chalcones were
tested to observe the structural characteristics for the monoamine oxidase inhibitory (MAO) activity.
In both these series, a diverse range of substituted thiophenes are used which enable the structure activity
relationship. The compounds showed enhanced inhibition against MAO-A & B as compared to
reference compounds. Compound 1c exhibited most potent MAO-A inhibition having IC50 value of 0.062 M, while 1j
showed excellent inhibitory potency against MAO-B having IC50 value of 0.088 M. The present investigation demonstrated
that among piperidyl-thienyl chalcones, almost all the compounds exhibit significant MAO-A inhibition, thus may
have antidepressant activity. Whereas among the 2-pyrazoline derivatives of chal-cones, many compounds revealed MAOB
inhibition and hence may be applied in the control of senile dementia. Molecular docking studies were carried out
against human MAO-A and MAO-B to rationalize important binding site interactions.
