Oxovanadium(IV) Schiff Base Complex Derived From Phenylalanine Analogue Containing 2,3-Diaminopropionic Acid (DAP): Synthesis, Computational Study, and Biological Evaluation

Abstract

Reduced Schiff base ligand by condensation of phenylalanine analogue containing 2,3-diaminopropionic acid (DAP) with salicylaldehyde and its oxovanadium(IV) complex have been prepared. Chemical and structural properties were fully characterized. Density functional theory was used to pin down the structure combined with IR. The natural bond orbital analysis and energy calculations indicate that tetracoordinated complex of R-type is the most probable structure where vanadium atom is coordinated to 2 × O_phenolate and 2 × N_imine of the ligand. By biological evaluation, the metal complex exhibits antibacterial activity against four bacterial strains and antitumor activity against two tumor cell lines.

Keywords:

• reduced Schiff base
• oxovanadium(IV) complex
• density functional theory (DFT)
• biological evaluation

Supplementary Material

Experimental and theoretical predicted IR spectra, ORTEP presentations and crystal data for CCDC-936085 (4) and CCDC-936084 (6) are supported. Crystallographic data can be also acquired free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html, or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; E-mail: [email protected].

Additional information

Funding

This research is supported by One Hundred Person Project of the Chinese Academy of Sciences (Grant No. 292011312D1117110). The Supercomputing Center of Chinese Academy of Sciences is gratefully acknowledged for providing the computational resources.