Synthesis, Characterization, Biological Activities and Ab-initio Study of Transition Metal Complexes of [Methyl 2-((4-chlorophenyl)(hydroxy)methyle) Acrylate]

• DOI: 10.17344/acsi.2021.7305
• Publication Date: 2022-09-21T11:29:31Z
• Authors: Shazia Ishfaq; Shazia Nisar; Saqib Ali; Sadaf Iqbal; Saima Imad; Samina Iqbal; Saeeda Bano; Syeda Kanwal Zahid; Nasreen Fatima; Muhammad Shahzaman
• Keywords: Staphylococcus aureus; xrd; antibacterial activities; Cobalt; Microbial Sensitivity Tests; Ligands; 01 natural sciences; transition metal complexes; Anti-Bacterial Agents; 3. Good health; mbh adduct; Chemistry; Acrylates; Coordination Complexes; antioxidant activities; 0103 physical sciences; Escherichia coli; QD1-999; Schiff Bases

Taking cognizance of the medicinal significance and diverse functions of synthetic Morita-Baylis-Hillman adducts (MBHA), the title ligand was synthesized and purified through column chromatography. Cr+3, Mn+2, Co+3, Ni+2, Cu+2 complexes of the ligand were synthesized under basic conditions, subjected to characterization through spectral analyses and verified with the IR spectrum that was generated computationally by the DFT B3LYP method, with 6-311++ G (d,p) basis set and Hartree Fock (HF) B3LYP method in conjunction with 3-21G(d,p) basis set. Powder XRD helped to testify crystals of the complexes. Moreover, the antibacterial, and antioxidant characteristics of MBHA and its complexes were also established. All of them were found to be active antioxidants. The antibacterial activities, examined against S. aureus, E. coli, B. pumilis and S. typhi have revealed that its Cobalt complex has an excellent potential to act against all of them. Hence, these compounds maybe having potentialities for the discovery of new, cheaper and efficient drugs against various infectious diseases. The study also uncovers the first example of utilization of MBHA towards metal complex formation.