Theoretical Study on Some Substituted Hydrazones as Anti-Depressant Agents
Publish place: 26th Iranian Seminar on Organic Chemistry
Publish Year: 1397
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
ISOC26_085
تاریخ نمایه سازی: 2 شهریور 1398
Abstract:
Monoamine oxidase (MAO) is a mitochondrial enzyme that takes part in the oxidative deaminationof various monoamines. This enzyme consists of two isoforms that identified as MAOAand MAO-B [1]. The MAO-A inhibitors are preferred as controlling anti-depressant agents[2,3]. Thus, some substituted hydrazones was examined using computational quantum chemistryand molecular docking studies to evaluate their MAO-A inhibitor activities in this work.Results indicate that affinities of the mentioned hydrazones are in the range of -6.80 − -8.90kcal mol-1. Also, CF3 is the best substituent that has the best affinity toward amino acids ofenzyme among other ones. Molecular docking studies reveal that substituted hydrazones interplaywith amino acids of enzyme via various interactions. However, hydrazone with CF3substituent interacts with amino acids preferably through π-π stacking interactions (Fig. 1).This result highlights the role of non-covalent interactions in better orientation and affinity ofCF3-hydrazone toward amino acids.
Authors
Motahare Kiyanee-Ghaleno
Department of Chemistry, Faculty of Science, University of Zabol, Zabol, Iran
Pouya Karimi
Department of Chemistry, Faculty of Science, University of Zabol, Zabol, Iran
Mahmoud Sanchooli
Department of Chemistry, Faculty of Science, University of Zabol, Zabol, Iran
Hojat Samare-Delarami
Department of Chemistry, Faculty of Science, University of Zabol, Zabol, Iran