Synthesis and molecular docking study of some 5,6-dichloro-2cyclopropyl-1H-benzimidazole derivatives bearing triazole, oxadiazole, and imine functionalities as potent inhibitors of urease


Mentese E., BEKTAŞ H., Sokmen B. B. , Emirik M., ÇAKIR D., KAHVECİ B.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, cilt.27, ss.3014-3018, 2017 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 27 Konu: 13
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1016/j.bmcl.2017.05.019
  • Dergi Adı: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
  • Sayfa Sayıları: ss.3014-3018

Özet

A new series of benzimidazole compounds including hydrazinecarbothioamide, 1,2,4-triazole, 1,3,4-oxadiazole and imine function were synthesized starting from 5,6-dichloro-2-cyclopropyl-1H-benzimidazole. All of the benzimidazole derivatives exhibited good urease inhibitor activity. Compound 6a proved to be the most potent showing an enzyme inhibitory activity with an IC50 = 0.06 mu M. Molecular docking studies were also conducted on enzyme extracted from Jack bean urease to identify the binding mode of the newly synthesized compounds. (C) 2017 Elsevier Ltd. All rights reserved.