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coumarin derivatives

Design, synthesis and evaluation of 4H-Chromene-4-one analogues as potential Anti-bacterial and Anti-fungal agents

Nidhi Singh, Shridhar Satpute, Naveen Polkam, Ravi Kant, Jaya Shree Anireddy, Deepa Panhekar, Jaya Pandey

Abstract


A library of 28 newer 4H-cromen-4-one derivatives were designed, synthesized and screened for their antibacterial and antifungal efficacy against a panel of bacterial and fungal causative species. Fries and oxa-michael protocols were employed to achieve the target compound. From the assayed, compounds 7c, 7e, 7f, 7l, 7n, 7u and 7v demonstrated promising anti-bacterial profile whereas products 7f, 7l, 7q and 7w elicited excellent anti-fungal properties. Further, in silico molecular properties were predicted for these sketched analogues to assess their bio availability and drug likeness by using molinspiration software/toolkit. None of them violated Lipinski’s rule of five, signifying them as better anti-bacterial and anti-fungal agents. Both in-silico and biological studies predict derivative 7f and 7l as best agent.


Keywords


4H-chromen-4-one; Oxidative Michael addition; computational analysis; drug likeness score; antimicrobial activity;

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ISSN 2347–9825

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