Molecular docking studies of fused coumarin derivatives as inhibitors of GlcN-6

ABSTRACT

The biological activity of heterocyclic compounds depends on their structure, the type of hetero atoms in the ring and on the type of substituents present. In this paper, some heterocyclic compounds with coumarin moieties S1–S5 and novobiocin known as coumarin antibiotic were subjected to the molecular docking studies as important tools for drug discovery. Glucosamine-6-phosphate synthase is selected as a suitable target in this study. In silico studies reveal that all synthesized compounds S1–S5 are good inhibitors of GlcN-6 and the docking results are in agreement with in vitro antibacterial evaluation of compounds S1–S5

KEYWORDS:

• Fused coumarins
• GlcN-6-P synthase
• molecular docking studies
• novobiocin

Funding

Support for this study was provided by the Ministry for Education, Science and Technology of the Republic of Kosovo. Grant number:2-5521-2