Chelation of Zinc with Biogenic Amino Acids: Description of Properties Using Balaban Index, Assessment of Biological Activity on Spirostomum Ambiguum Cellular Biosensor, Influence on Biofilms and Direct Antibacterial Action.
Alla V MarukhlenkoMariya A MorozovaArsène M J MbargaNadezhda V AntipovaAnton V SyroeshkinIrina V PodoprigoraTatiana V MaksimovaPublished in: Pharmaceuticals (Basel, Switzerland) (2022)
The complexation of biogenic molecules with metals is the widespread strategy in screening for new pharmaceuticals with improved therapeutic and physicochemical properties. This paper demonstrates the possibility of using simple QSAR modeling based on topological descriptors for chelates study. The presence of a relationship between the structure (J) and lipophilic properties (logP) of zinc complexes with amino acids, where two molecules coordinate the central atom through carboxyl oxygen and amino group nitrogen, and thus form a double ring structure, was predicted. Using a cellular biosensor model for Gly, Ala, Met, Val, Phe and their complexes Zn(AA) 2 , we experimentally confirmed the existence of a direct relationship between logP and biological activity (Ea). The results obtained using topological analysis, Spirotox method and microbiological testing allowed us to assume and prove that the chelate complex of zinc with methionine has the highest activity of inhibiting bacterial biofilms, while in aqueous solutions it does not reveal direct antibacterial effect.
Keyphrases
- amino acid
- oxide nanoparticles
- gold nanoparticles
- candida albicans
- sensitive detection
- molecular dynamics
- quantum dots
- label free
- silver nanoparticles
- molecular docking
- tyrosine kinase
- single cell
- genome wide
- dna methylation
- heavy metals
- anti inflammatory
- risk assessment
- health risk
- climate change
- drinking water
- wound healing