IDENTIFICATION OF NOVEL INHIBITORS AGAINST POTENTIAL TARGETS OF CAMPYLOBACTER JEJUNI
作者： Bhawna Rathi , Anukriti Verma , Shivani Sharda
DOI:
关键词: Reductase 、 Dehydrogenase 、 UniProt 、 Campylobacter jejuni 、 Discovery Studio 、 Active site 、 Biology 、 Biochemistry 、 Docking (molecular)
摘要: Objective: The aim of the present study is structure identification UDP-N-acetyl muramate dehydrogenase and 4-hydroxy-3-methylbut-2-enyl diphosphate reductase for Campylobacter jejuni designing their inhibitors using docking simulation studies. Methods: Uniprot, BLAST P, Discovery Studio, Verify 3D Maestro Schrodinger suit have been used identification, validation Results: structures UDP-N-acetylmuramic were predicted validated generating 87.80% 85.82% score respectively. For reductase, HTVS resulted in 5801 compounds while SP XP 5781 ligands. UDP-N-acetylmuramate dehydrogenase, 5474 whereas 5359 Conclusion: detected verified. list top 10 was acquired that can be considered as putative potential drug targets. Keywords: , Structure prediction, Active site, Docking, Inhibitor.
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