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Molecular Docking, Synthesis and CNS Activity of Some Novel 1, 4-Benzodiazepine Derivatives

[ Vol. 14 , Issue. 6 ]

Author(s):

Sunil S. Menghani, Rupesh Chikhale, Amit Pant, Bijo Mathew and Pramod Khedekar   Pages 690 - 698 ( 9 )

Abstract:


Background: A series of new class of twenty four 1, 4-benzodizepines were designed and by using molecular docking study with GABAA receptor, high scoring fourteen molecules were synthesized from this library. Binding affinity of ligands towards GABAA was evaluated on the basis of dock score and bonding interactions like hydrogen bonds, hydrophobic bonds and pi-stacking.

Methods: All compounds were found to possess a good dock score, but varied in the formation of bonding interactions. Methoxy group substituted ligands showed particularly very important role in these interactions. All the synthesized molecules were characterized by IR, 1H-NMR and Mass spectrometric data and investigated for their antianxiety and antiepileptic actions.

Conclusion: Compound 3-(3-ethoxy-4-hydroxybenzylidene)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin- 2-one was found to possess very effective in both the activities. All results, docking as well as pharmacological evaluations were compared to diazepam.

Keywords:

1, 4-benzodizepines, GABAA, molecular docking, antianxiety, antiepileptic, diazepam.

Affiliation:

Department of Pharmaceutical Sciences, CADD Lab, Mahatma Jyotiba Fuley Shaikshanik Parisar, Rashtrasant Tukadoji Maharaj Nagpur University, Amravati Road, Nagpur, 440 033 MS, Department of Pharmaceutical Sciences, CADD Lab, Mahatma Jyotiba Fuley Shaikshanik Parisar, Rashtrasant Tukadoji Maharaj Nagpur University, Amravati Road, Nagpur, 440 033 MS, Department of Pharmaceutical Sciences, CADD Lab, Mahatma Jyotiba Fuley Shaikshanik Parisar, Rashtrasant Tukadoji Maharaj Nagpur University, Amravati Road, Nagpur, 440 033 MS, Department of Pharmaceutical Chemistry, Division of Drug Design and Medicinal Chemistry Research Lab, Ahalia School of Pharmacy, Palakkad- 678557, Kerala, Department of Pharmaceutical Sciences, CADD Lab, Mahatma Jyotiba Fuley Shaikshanik Parisar, Rashtrasant Tukadoji Maharaj Nagpur University, Amravati Road, Nagpur, 440 033 MS

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