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Insilico docking studies, Synthesis and Characterization on Nitrogen and Oxygen Containing Heterocyclic Compound (1,3,4 –Oxadiazole) with promising Antimicrobial and anti-inflammatory activity: Invitro&invivo.
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| Author:
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DANIEL KRATIKA, DANIEL VIVEK, ANIL KUMAR GUPTA
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| Abstract:
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Introduction: The goal of ligand protein is to predict the predominant binding model(s) of ligand with a protein of known 3D structural.
Objective - In the present work, the motto was to develop new target as antimicrobial and anti-inflammatory agent of 1,3,4 oxadiazole derivative of 4-amino Hippuric Acid and greater selectivity with Glucosamine 6-Phospahate Synthase (PDB ID: 2VF5) and Cyclooxygenase-2 (PDB ID: 6COX) with flexible molecular docking studies and to perform Antimicrobial and Anti-inflammatory Activity.
Material & Methods- In the docking studies, parameters like binding energy, inhibition constant and intermolecular energy were determined. Substitued 1, 3, 4-oxadiazole derivativeof 4-amino hippuric acid was synthesized and characterized. All synthesized compounds were used to perform Invitro Antimicrobial activity and Invitro Antiinflammatory activity. Some selected Compounds were used to perform Minimum InhibitoryConcentration as Antimicrobial agents and Invivo Anti inflammatory Agents
Result –In silico molecular docking studies also proved that compounds shown best binding energy with 2VF5 and 6COX. Compounds are characterised with Spectral and Elemental Analysis.
Conclusion - From the present studies it can be concluded that 1,3, 4 oxadiazole derivative of 4-amino hippuric acid possess marked anti-inflammatory activity and Antimicrobial Activity.
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| Keyword:
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Molecular docking, PASS, Anti- inflammatory activity, Antimicrobial
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| EOI:
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| DOI:
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https://doi.org/10.31838/ijpr/2020.12.04.561
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| Download:
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