A new class of 5,7-dichloro-1,3-benzoxazole derivatives4–11were synthesized by fusing 5,7-dichloro-2-hydrazino-1,3-benzoxazole3nucleus with aliphatic acids, active methylene compounds, and with selected esters to form heterocyclic ring systems like 1,2,4-triazoles, pyrazoles, and triazine moieties. The compound3on diazotization reaction affords the tetrazole compound. The synthesized compounds were characterized by1H NMR, IR, Mass, and13C NMR spectral data and screened for cytotoxic, antimicrobial, antioxidant, and antilipase activities. The compounds4,5, and8have shown significant antimicrobial activities, whereas compounds6and8have been emerged as leading cytotoxic agents. The compounds9,10, and11were found to be strong enzyme inhibitors.
Background:
The genus Morus is one of the rich sources of phytomedicine and considered as a beneficial natural
source for the drugs with potential antimicrobial effect under the traditional system of medicine.
Introduction:
In the present study, three bioactive compounds were isolated from the leaves of two species of genus Morus
and their antibacterial effect against selective pathogens were assessed.
Methods:
The inhibitory effects of the three molecules isolated were assessed for their minimum inhibition concentration
(MIC) and minimum bactericidal concentration (MBC) against selected pathogens. The in-silico studies provided the toxicity profile and the binding interactions with glucosamine-6-phosphate synthase for all the isolates.
Results and Discussion:
Results and Discussion: Among the three compounds tested, cathafuran-B showed prominent bacteriostatic and bactericidal
effect which is supported by the results of in-silico analysis suggesting cathafuran-B could be a potential glucosamine-6-
phosphate synthase inhibitor.
Conclusion:
The biomolecule isolated from less explored Morus laevigata exhibiting higher antibacterial effect among the
compounds tested warranted opening a new prospect in phytomedicinal research in exploring its pharmacological properties
and lowering the utilization load present on highly explored Morus alba.
Metal(II) complexes of cobalt(II) (1), copper(II) (2), nickel(II) (3), and zinc(II) (4) with Schiff base ligand derived from furan-2-carbaldehyde were synthesized and elucidated by IR, electronic, mass, 1 H NMR, and magnetic susceptibility measurements. Using DFT-based optimization of structures, bond length, bond angle, HOMO-LUMO energy gaps, and molecular electrostatic potential maps (MEP) of ligand and complexes 1-3 were theoretically calculated at the B3LYP/LANL2DZ level of theory. HOMO-LUMO energy gap was calculated which allowed the calculation of comparable properties like chemical hardness, chemical inertness, and chemical potential. The Ni(II) and Cu(II) complexes showed potent inhibition against all the bacterial strains. In comparison with antibacterial activity, molecular docking studies were carried out with protein receptor SEC2 (PDB: 1STE) in Staphylococcus aureus.
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