Metal contained Phthalocyanines with 3,4-Dimethoxyphenethoxy substituents: their anticancer, antibacterial activities and their inhibitory effects on some metabolic enzymes with molecular docking studies

Taslimi P., Türkan F., Gungordu Solgun D., Aras A., Erden Y., Çelebioğlu H. U., ...Daha Fazla

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, cilt.40, sa.7, ss.2991-3002, 2022 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 40 Sayı: 7
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1080/07391102.2020.1844051
  • Dergi Adı: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, EMBASE, MEDLINE
  • Sayfa Sayıları: ss.2991-3002
  • Anahtar Kelimeler: Phthalocyanines, anticancer, enzyme inhibition, molecular docking, BORON COMPLEXES, ALPHA-GLYCOSIDASE, DNA-BINDING, BUTYRYLCHOLINESTERASE, ACETYLCHOLINESTERASE, LIGAND, IDENTIFICATION, ANTIOXIDANT, SOLUBILITY, PROTEIN
  • Atatürk Üniversitesi Adresli: Evet

Özet

The compounds (3-6) used in this study were re-synthesized in accordance with our previous study. The inhibitory effect of the complexes on some metabolic enzymes was examined and it was demonstrated that the enzymes inhibited by ligands and their complex molecules at micromolar level. The best Ki value for alpha-glycosidase enzyme was absorved 1.01 +/- 0.08 mu M for compound 6. The biological activity of ligand and metal complexes against enzymes was compared with molecular docking method. The enzymes used against ligand and metal complexes respectively: Achethylcholinesterase for ID 4M0E (AChE), butyrylcholinesterase for ID 5NN0 (BChE), alpha-glycosidase for ID 1XSI (alpha-Gly). ADME analysis was performed to examine the drug properties of the compounds (3-6). Besides, the anticancer properties of the complexes were studied. The doses of all compounds caused significant reductions in MCF-7 cell viability. The 3 and 5 compounds administered to PC-3 cells exhibited a more pronounced cytotoxic effect than the other two compounds (4 and 6). Furthermore, antibacterial activities of these compounds against Escherichia coli and Staphylococcus aureus were examined.