Catalytic, Theoretical, and Biological Investigations of Ternary Metal (II) Complexes Derived from L-Valine-Based Schiff Bases and Heterocyclic Bases

Author:

Sasikumar Gopalakrishnan1,Subramani Annadurai2,Tamilarasan Ramalingam3ORCID,Rajesh Punniyamurthy4,Sasikumar Ponnusamy5,Albukhaty Salim6ORCID,Mohammed Mustafa K. A.7ORCID,Karthikeyan Subramani8,Al-aqbi Zaidon T.9ORCID,Al-Doghachi Faris A. J.10ORCID,Taufiq-Yap Yun Hin1112

Affiliation:

1. Department of Chemistry, St. Joseph’s College of Engineering, Chennai 600 119, Tamil Nadu, India

2. Department of biochemistry, Dwaraka Doss Goverdhan Doss Vaishnav College, Chennai 600 106, Tamil Nadu, India

3. Department of Chemistry, Vel Tech Multi Tech Dr. Rangarajan Dr. Sakunthala Engineering College, Chennai 600 062, Tamil Nadu, India

4. Department of Physics, Vels Institute of Science, Technology and Advance Studies of Basic Science, Chennai 600 017, Tamil Nadu, India

5. Department of Physics, Saveetha School of Engineering, SIMATS, Chennai 602 701, Tamil Nadu, India

6. Department of Chemistry, College of Science, University of Misan, Maysan 62001, Misan, Iraq

7. Radiological Techniques Department, Al-Mustaqbal University College, Hillah 51001, Babylon, Iraq

8. Department of Physics, Periyar University Centre for Post Graduate and Research Studies, Dharmapuri 636 701, Tamil Nadu, India

9. College of Agriculture, University of Misan, Al-Amara, Amarah 62001, Misan, Iraq

10. Department of Chemistry, Faculty of Science, University of Basrah, Basra 61004, Basrah, Iraq

11. Catalysis Science and Technology Research Centre, Faculty of Science, Universiti Putra Malaysia, Serdang 43400, Selangor, Malaysia

12. Faculty of Science and Natural Resources, University Malaysia Sabah, Kota Kinabalu 88400, Sabah, Malaysia

Abstract

A new series of ternary metal complexes, including Co(II), Ni(II), Cu(II), and Zn(II), were synthesized and characterized by elemental analysis and diverse spectroscopic methods. The complexes were synthesized from respective metal salts with Schiff’s-base-containing amino acids, salicylaldehyde derivatives, and heterocyclic bases. The amino acids containing Schiff bases showed promising pharmacological properties upon complexation. Based on satisfactory elemental analyses and various spectroscopic techniques, these complexes revealed a distorted, square pyramidal geometry around metal ions. The molecular structures of the complexes were optimized by DFT calculations. Quantum calculations were performed with the density functional method for which the LACVP++ basis set was used to find the optimized molecular structure of the complexes. The metal complexes were subjected to an electrochemical investigation to determine the redox behavior and oxidation state of the metal ions. Furthermore, all complexes were utilized for catalytic assets of a multi-component Mannich reaction for the preparation of -amino carbonyl derivatives. The synthesized complexes were tested to determine their antibacterial activity against E. coli, K. pneumoniae, and S. aureus bacteria. To evaluate the cytotoxic effects of the Cu(II) complexes, lung cancer (A549), cervical cancer (HeLa), and breast cancer (MCF-7) cells compared to normal cells, cell lines such as human dermal fibroblasts (HDF) were used. Further, the docking study parameters were supported, for which it was observed that the metal complexes could be effective in anticancer applications.

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

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