Nitric oxide functionalized molybdenum(0) pyrazolone Schiff base complexes: thermal and biochemical study

Area of Science:

• Coordination Chemistry
• Materials Science
• Computational Chemistry
• Biochemistry

Background:

• Schiff base ligands are versatile building blocks in coordination chemistry.
• Molybdenum complexes with nitrosyl ligands exhibit diverse chemical and biological properties.
• Understanding structure-activity relationships is crucial for developing new therapeutic agents.

Purpose of the Study:

• To synthesize and characterize novel molybdenum dinitrosyl Schiff base complexes.
• To elucidate the structural, thermal, and electronic properties of the synthesized complexes.
• To evaluate the in vitro antimicrobial and anticancer activities of the complexes.

Main Methods:

• Synthesis of three molybdenum dinitrosyl Schiff base complexes using specific ligands.
• Characterization through spectroscopic (FT-IR, electronic) and analytical techniques (elemental analysis, magnetic susceptibility, molar conductance).
• Structural elucidation using comparative experimental-theoretical approaches, including Density Functional Theory (DFT) calculations.
• Thermal analysis using thermogravimetry (TG) and various kinetic/thermodynamic parameter estimation methods (Freeman & Carroll, Horowitz & Metzger, Coats-Redfern, Broido).
• Biological evaluation using MTT assay for anticancer activity and in vitro assays for antimicrobial activity.

Main Results:

• Successful synthesis and characterization of three molybdenum dinitrosyl Schiff base complexes with cis-octahedral geometry.
• The Broido method provided the best fit for thermal analysis of the representative complex.
• The complex containing N-(dehydroacetic acid)-4-aminoantipyrene (dha-aapH) exhibited potent in vitro anticancer activity (IC50 = 10.51 μg/mL) against COLO-205 cells.
• This complex also demonstrated significant antimicrobial activity against Aspergillus, Pseudomonas, E. coli, and Streptococcus, with notable efficacy against Pseudomonas and Streptococcus.

Conclusions:

• The synthesized molybdenum dinitrosyl Schiff base complexes possess defined structures and thermal properties.
• The dha-aapH containing complex shows promising anticancer and broad-spectrum antimicrobial potential.
• These findings highlight the therapeutic relevance of novel molybdenum-Schiff base complexes.