Anticancer, antioxidant, and antimicrobial studies and molecular docking of a new hexanuclear Zn(II) complex, together with its X-ray crystal analysis.
Hassan KeypourHamid ZeynaliHojatollah FatemikiaNika RanjbarRoya KaramianMohammad Taher RezaeiRobert William GablePublished in: Dalton transactions (Cambridge, England : 2003) (2024)
A new hexanuclear Zn(II) complex with the ligand 2,2'-(piperazine-1,4-diyl)bis(ethan-1-amine), [L 3 Zn 6 (OH) 6 ][ClO 4 ] 6 ·3MeOH·7H 2 O, was synthesized. The crystal structure of this complex showed that each Zn atom is in a distorted tetrahedral coordination environment, surrounded by two nitrogen atoms from each ligand and two hydroxide groups, each of which bridges to another Zn atom. The anticancer activities of the ligand and its metal complex against the breast cancer cell line (MCF-7) indicated that the zinc complex had a greater anticancer activity. The free ligand and its metal complex were evaluated for antioxidant activity using the DPPH scavenging method. In addition, the antibacterial activities of both compounds were screened against Gram-positive ( Staphylococcus aureus ) and Gram-negative ( Escherichia coli ) bacteria. The interaction of these compounds with DNA and AChE was also investigated using molecular docking.
Keyphrases
- molecular docking
- gram negative
- staphylococcus aureus
- heavy metals
- multidrug resistant
- molecular dynamics simulations
- risk assessment
- magnetic resonance imaging
- oxidative stress
- molecular dynamics
- young adults
- single molecule
- anti inflammatory
- klebsiella pneumoniae
- circulating tumor
- silver nanoparticles
- dual energy