Molecular docking and in vitro anticancer studies of silver(I)-N-heterocyclic carbene complexes

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Akkoc M., Khan S., YÜCE H., BAŞAK TÜRKMEN N., YAŞAR Ş., YAŞAR S., ...Daha Fazla

HELIYON, cilt.8, sa.8, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 8 Sayı: 8
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1016/j.heliyon.2022.e10133
  • Dergi Adı: HELIYON
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Emerging Sources Citation Index (ESCI), Scopus, CAB Abstracts, Food Science & Technology Abstracts, Veterinary Science Database, Directory of Open Access Journals
  • Anahtar Kelimeler: Healthy fibroblast cell line (L929), Breast cancer cell line (MCF-7), Neuroblastoma cell line (SH-SY5Y), Anticancer activity, Silver-N-heterocyclic carbene, N-HETEROCYCLIC CARBENE, METAL-COMPLEXES, SILVER COMPLEXES, ANTITUMOR, DISCOVERY, LIGANDS
  • İnönü Üniversitesi Adresli: Evet

Özet

A series of symmetric and unsymmetrical benzimidazolium-based N-heterocyclic carbene (NHC) precursors (1a-i) and their silver complexes (2a-i) have been synthesized. The Ag(I)-NHC complexes were characterized by H-1, C-13 {H-1} NMR, FTIR, LC/MS-QTOF, and elemental analysis. Anticancer and cytotoxic activity of all Ag(I)-NHC complexes were tested against healthy fibroblast cell line (L929), breast cancer cell line (MCF-7), and neuro-blastoma cell line (SH-SY5Y) by MTS [3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4sulfo-phenyl)-2H-tetrazolium] assay. The 2b, 2c, 2e, 2g, 2h, and 2i complexes showed higher cytotoxicity than cisplatin against SH-SY5Y and MCF-7 and lower cytotoxic activity against L929 cell lines. Because of their high cytotoxic activity against cancer cells and low cytotoxicity against healthy fibroblast cell lines, the 2b, 2c, 2e, 2g, 2h, and 2i are expected to be new lead compounds. In addition, molecular docking studies were performed to explore the binding interactions of silver complexes with the enzyme to explore new anticancer compounds. Furthermore, ADME properties of all complexes were predicted to explore lead-like characteristics and may be a potential drug candidate for cancer treatment.