Inhibition effect of rhodanines containing benzene moieties on pentose phosphate pathway enzymes and molecular docking

KARAMAN M., Temel Y., Bayindir S.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1220, 2020 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1220
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1016/j.molstruc.2020.128700
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chimica, Compendex, INSPEC
  • Anahtar Kelimeler: Rhodanine, Rat erythrocyte, Enzyme, G6PD, 6PGD, Enzyme inhibition, Molecular docking
  • Dokuz Eylül Üniversitesi Adresli: Hayır

Özet

Recently, inhibition studies of pentose phosphate pathway (PPP) enzymes have come out as an encouraging approach for pharmacological intervention in a variety of disorders. For this purpose, the rhodanines (Ph-Rhs) containing different benzene moiety were obtained via a green synthetic approach over a one pot reaction. We tested their inhibition effect on PPP enzymes glucose-6-phosphate dehydrogenase (G6PD) and 6-phosphogluconate dehydrogenase (6PGD). As a result of these studies, inhibition constant (K-i) of Ph-Rhs on PPP enzymes were found in the range of 6.57 +/- 2.03 to 91.60 +/- 9.25 mu M for G6PD and 11.17 +/- 3.01 to 64.51 +/- 4.26 mu M for 6PGD. Moreover, binding energies were calculated with docking studies as -5.234 and -5.071 kcal/mol for G6PD and 6PGD, respectively. (C) 2020 Published by Elsevier B.V.