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, Emre; BEKTAŞ, HAKAN; Sokmen, Bahar; Emirik, Mustafa; ÇAKIR, DEMET; KAHVECİ, BAHİTTİN

doi:10.1016/j.bmcl.2017.05.019

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

Atıf İçin Kopyala

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

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, cilt.27, sa.13, ss.3014-3018, 2017 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 27 Sayı: 13
Basım Tarihi: 2017
Doi Numarası: 10.1016/j.bmcl.2017.05.019
Dergi Adı: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.3014-3018
Karadeniz Teknik Üniversitesi Adresli: Evet

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.