Design, synthesis and evaluation of 4H-Chromene-4-one analogues as potential Anti-bacterial and Anti-fungal agents
Keywords:4H-chromen-4-one, Oxidative Michael addition, in-silico analysis, drug likeness score, Molecular modelling, chromones
A library of 28 newer 4H-chromen-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 5c, 5e, 6a, 7b, 7d, 9a and 9b demonstrated promising anti-bacterial profile whereas products 6a, 7b, 8b and 9c 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 Lipinskis rule of five, signifying them as better anti-bacterial and anti-fungal agents. Both in-silico and biological studies predict derivative 6a and 7b as best agent.
How to Cite
The submitting authors confirms the transfer of copyright to the ScienceIn for the contents (including graphics and associated media) and understand the all authors agrees to the statement of copyright transfer as submission is being made with the consent of all authors.