Syntheses and characterization of novel antimony (III) and bismuth (III) derivatives containing β‐enamino ester along with antimicrobial evaluation, DFT calculation, and cytotoxic study

• Published in: Journal of biochemical and molecular toxicology 2024-01, Vol.38 (1), p.e23548-n/a
• Main Authors: Sangwan, Reena, Beniwal, Savita, Gaur, Seema, Sharma, Phulwanti, Mittal, Megha, Sharma, Priyanka, Sharma, Jyoti
• Format: Article
• Language: English
• Subjects: antibacterial activity; antifungal activity; Antiinfectives and antibacterials; Antimony; Bismuth; Chlorides; computational study; Computer applications; Cytotoxicity; Esters; Fungicides; Ligands; Lung cancer; Mass spectrometry; Mass spectroscopy; NMR; Nuclear magnetic resonance; Sodium salts; Stoichiometry; Structural analysis; Synthesis
• ISSN: 1095-6670; 1099-0461
• DOI: 10.1002/jbt.23548

Four novel antimony (III) and bismuth(III) complexes of the kind Cl–Sb–O–C(OR)–CH(CH3)C–NH–(CH2)2–NH–C(CH3)CH:C(OR)–O [where R = ‐CH3, M = Sb (1a); R = –C2H5, M = Sb (1b); R = –CH3, M = Bi (1c); R = –C2H5, M = Bi (1d)] were successfully prepared by reacting antimony(III)chloride and bismuth(III)chloride with sodium salt of β‐enamino esters in 1:1 stoichiometry, which were further structurally characterized by physicochemical and IR, 1H, 13C NMR spectral and mass spectrometry. Structural analysis revealed that all four derivatives of both antimony and bismuth display octahedarl geometry which has been optimized through computational studies. These derivatives along with their parent ligands were subsequently assayed in vitro for antibacterial (Bacillus subtilis, Pseudomonas aeruginosa) and antifungal (Aspergillus niger and Candida albicans) activities. Synthesized complexes were more efficacious in terms of biological activities as compared to parent ligands Further synthesized compounds were evaluated for their in vitro cytotoxic activity against lung cancer cell line A549 using MTT method. IC50 value for all four complexes was determined and all of them are found active. Computational studies of the representative complexes have been done using B3LYP/631‐G* basis sets to provide optimized geometry.