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Synthesis, Antimicrobial and Computational Studies of New Branched Azaphenothiazinones Derivatives

FideliaN. Ibeanu1, MercyA. Ezeokonkwo2, EfeturiA. Onoabedje2, Cosmas C. Eze1,2,4, Evelyn U. Godwin-Nwakwasi3, UchechukwuC. Okoro2
1Natural Science Unit, School of General Studies, University of Nigeria, Nsukka, 410001, Enugu State, Nigeria 2Departmentof Pure and Industrial Chemistry, University of Nigeria, Nsukka, 410001, Enugu State, Nigeria 3Department of Chemistry, Gregory University, Uturu, Abia State, Nigeria 4Department of Chemistry, North Carolina State University, Raleigh, North Carolina, 27607, USA
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In a continued search for new medicinally active nonlinear phenothiazines, novel angular chloroazaphenothiazinone derivatives have been synthesized via transition metal-catalyzed cross-coupling reactions. The structural elucidation of the synthesized compounds was established by a combined spectroscopic and elemental analysis. The synthesized compounds were tested for their antimicrobial activity against Bacillus subtilis, Staphylococcus aureus, Enterococusfaecalis, Escherichia coli, Candida albican,and Aspergillus niger isolates by the convectional agar-well dilution method and compounds 5c and 8cdisclosed excellent in vitro activity against some of the tested microorganisms. In silico,the study showed that the synthesized compounds possessed promising physichemical properties and fit well in the active site of a Biotin-Protein Ligase (BPL) forming essential hydrogen bonding and hydrophobic interactions.

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