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Design, synthesis and evaluation of 2-aminobenzimidazole derivatives: strong candidate for PPAR gamma agonists.
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| Author:
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ANTON.SMITH.A, MATHAN.S, SUNILKUMAR. D
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| Abstract:
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The aim of the research was to design a new ligand of 2-Aminobenzimidazole in dry lab by using computational techniques like Chemsketch, Mol inspiration, Pass online, Open babel and Discovery studio, selected derivatives were synthesised in wet lab and evaluated the PPAR? agonistic activity by means of in vivo method. In order to determine the Lipinski Rule and Drug-likeness properties of proposed ligands Mol inspiration is used. The predicated activity spectra of proposed ligands were carried out by using PASS online. To understand the binding interaction of the proposed ligand with the receptor, the docking studies were carried out using homology model of receptors to identify the binding sites by means of- CDocker energy using Discovery Studio (DS) 4.5. Prior to docking the sdf structure of ligands was created by Open babel programme. The selected derivatives were synthesised and evaluated the PPAR? agonistic activity by using Wistar albino rats. The results revealed that the benzimidazole with para-aminobenzoic acid shows better –CDocker energy than the standard drug Pioglitazone. The synthesised derivatives exhibit best PPAR? agonistic activity.
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| Keyword:
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2-Aminobenzimidazole; Molecular Docking; Discovery Studio; PPAR? agonist
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| EOI:
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-
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| DOI:
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https://doi.org/10.31838/ijpr/2020.12.04.012
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| Download:
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