The green synthesis and molecular docking of novel N-substituted rhodanines as effective inhibitors for carbonic anhydrase and acetylcholinesterase enzymes

Bayindir, Sinan; Caglayan, Cuneyt; Karaman, Muhammet; Gülçin, İlhami

doi:10.1016/j.bioorg.2019.103096

Makale Tam Makale Uluslararası 2019

The green synthesis and molecular docking of novel N-substituted rhodanines as effective inhibitors for carbonic anhydrase and acetylcholinesterase enzymes

Sinan Bayindir, Cuneyt Caglayan, Muhammet Karaman, İlhami Gülçin

Bioorganic Chemistry Cilt 90 · 01.09.2019

DOI ile aç

Özet

Recently, inhibition effects of enzymes such as acetylcholinesterase (AChE) and carbonic anhydrase (CA) has appeared as a promising approach for pharmacological intervention in a variety of disorders such as epilepsy, Alzheimer's disease and obesity. For this purpose, novel N-substituted rhodanine derivatives (RhAs) were synthesized by a green synthetic approach over one-pot reaction. Following synthesis the novel compounds, RhAs derivatives were tested against AChE and cytosolic carbonic anhydrase I, and II (hCAs I, and II) isoforms. As a result of this study, inhibition constant (Ki) were found in the range of 66.35 +/- 8.35 to 141.92 +/- 12.63 nM for AChE, 43.55 +/- 14.20 to 89.44 +/- 24.77 nM for hCA I, and 16.97 +/- 1.42 to 64.57 +/- 13.27 nM for hCA II, respectively. Binding energies were calculated with docking studies as -5.969, -5.981, and -9.121 kcal/mol for hCA I, hCA II, and AChE, respectively.

Anahtar kelimeler

carbonic anhydrase ALZHEIMERS-DISEASE DERIVATIVES Acetylcholinesterase Butyrylcholinesterase Molecular docking enzyme inhibition TROUT ONCORHYNCHUS-MYKISS ERYTHROCYTES IN-VITRO BIOLOGICAL EVALUATION CRYSTAL-STRUCTURE DRUG DISCOVERY 1ST SYNTHESIS Rhodanine Aza-ylides ACHE INHIBITORS

Sürdürülebilir Kalkınma Amaçları

SKA 3: Sağlıklı Bireyler

Atıf için künye

Bayindir, S., Caglayan, C., Karaman, M., & Gülçin, İ. (2019). The green synthesis and molecular docking of novel N-substituted rhodanines as effective inhibitors for carbonic anhydrase and acetylcholinesterase enzymes. Bioorganic Chemistry, 90. https://doi.org/10.1016/j.bioorg.2019.103096

BibTeX

@article{bayindir2019-67655,
  author = {Bayindir, Sinan and Caglayan, Cuneyt and Karaman, Muhammet and Gülçin, İlhami},
  title = {The green synthesis and molecular docking of novel N-substituted rhodanines as effective inhibitors for carbonic anhydrase and acetylcholinesterase enzymes},
  journal = {Bioorganic Chemistry},
  year = {2019},
  volume = {90},
  issn = {0045-2068},
  doi = {10.1016/j.bioorg.2019.103096},
  url = {https://akademik.atauni.edu.tr/yayinlar/67655-the-green-synthesis-and-molecular-docking-of-novel-n-substituted-rhodanines-as}
}