Manganese Schiff Base Complexes, Crystallographic Studies, Anticancer Activities, and Molecular Docking

Abstract

Choice of ligands is significant to successful synthesis of metal complexes (coordination compounds). This study reports the use of Schiff base as the right ligand to control the poor bioavailability and neurodegenerative toxicity challenges of manganese ion. In line with this study, document analysis was used as the methodological approach to evaluate the significance of Schiff base ligands in easing these manganese’s challenges and aligning the resultant coordination compounds (manganese Schiff base complexes) as therapeutic agents in anticancer studies. Report also involves crystallographic studies where single crystal X-ray crystallography was used as a chemical characterization technique. In addition, molecular docking studies, MOE2008, and AutoDock software were used to reveal the mode of interaction between the Schiff base and the manganese(II) and (III) ions, as well as scrutinizing the biological efficacy of the manganese(II) and manganese(III) Schiff bases coordination compounds as anticancer agents against some anticancer cell lines. Conclusion drawn was that manganese(II) and manganese(III) Schiff bases coordination compounds gave more active and potent activities than the corresponding Schiff bases. As a result, challenges of neurodegenerative toxicity and poor bioavailability of manganese ion were overcome, and the chelation therapy was fulfilled. Results from single crystal X-ray crystallography confirmed the successful synthesis of manganese(II) and manganese(III) Schiff bases coordination compounds and revealed the mechanism of reaction, while the molecular docking buttressed the biological activities of the Schiff base ligand and manganese Schiff base coordination compounds by portraying the structure activity relationship (SAR) between either Schiff base or the manganese Schiff base coordination compounds and the virtual cancer cell line (receptor protein), where hits were obtained for lead optimizations.

Second-Generation Enamine-Type Schiff Bases as 2-Amino Acid-Derived Antifungals against Fusarium oxysporum: Microwave-Assisted Synthesis, In Vitro Activity, 3D-QSAR, and In Vivo Effect

“…Schiff bases and their metal complexes are widely known for their wide range of biological activities reported in the literature [ 1 , 2 , 3 , 4 , 5 ]. Although they are well-studied compounds whose synthesis has been established, meaningful attention has continually emerged over them, particularly their synergistic effect when they are present in biologically active compounds with different pharmacophores.…”

Ease to Challenges in Achieving Successful Synthesized Schiff Base, Chirality, and Application as Antibacterial Agent

“…Schiff Base Definition, General Synthesis, and Versatile Uses. In 1864, Hugo Schiff discovered Schiff base by condensation reaction of alkanal or alkanone and primary in azeotropic distillation, which was named after him [1][2][3][4][5][6][7][8]. Schiff bases are characterized with azomethine (imine) groups [2,4,5,7,9,10].…”

“…In 1864, Hugo Schiff discovered Schiff base by condensation reaction of alkanal or alkanone and primary in azeotropic distillation, which was named after him [1][2][3][4][5][6][7][8]. Schiff bases are characterized with azomethine (imine) groups [2,4,5,7,9,10]. Sangle regarded Schiff base as a subclass of imines [6], while Ceramella et al posited the imine or azomethine group (>C=N-) as being essential for the Schiff base biological activities [9].…”

“…The general structural formula for Schiff bases is R 1 R 2 C=NR 3 where R 1 R 2 and R 3 are either alkyl, aryl, cycloalkyl or heterocyclic group [2,4,5]. The general structural formula and general synthesis are shown in Figure 1 and Scheme 1, respectively.…”

“…Among several ligands, this study recognizes the versatility of Schiff base ligand because of its wide spectrum of biological properties, such as analgesic, anticancer, antidepressant, antidiabetic, anti-inflammatory, antiepileptic, antimalarial, antimicrobial (antibacterial, antifungal, and antiviral), antioxidant, antiplatelet, antiproliferative, antitubercular, and herbicidal [4,5,9,11,14,[17][18][19]. Schiff bases can also be incorporated with other ligands like dithiocarbamates [20] which make them have diverse and multipurpose applications.…”