Synthesis, molecular docking, in silico ADME and antimicrobial activity studies of some new benzimidazole-triazole derivatives

Asaf Evrim EVREN; İsmail ÇELİK; Ulviye ACAR ÇEVİK

Makale detayları

Synthesis, molecular docking, in silico ADME and antimicrobial activity studies of some new benzimidazole-triazole derivatives

Yazarlar:

Asaf Evrim EVREN | İsmail ÇELİK | Ulviye ACAR ÇEVİK

Ana Başlıklar:

Farmakoloji ve terapötik

Dergi:

Cumhuriyet Science Journal 2021 Vol.42 Issue 4, pp.795-805

Belge Tipi:

Makale

Yayın Tarihi:

12/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000920241

Özet:

 

In this study, new benzimidazole-triazole derivatives were synthesized in two steps. First, 4-benzaldehyde derivatives are synthesized by reacting 1,2,4-triazole ring and 4-fluorobenzaldehyde. In the last step, the benzimidazole ring was obtained with o-phenylenediamine derivatives under microwave radiation. The structures of synthesized compounds were confirmed by 1H-NMR, 13C-NMR, infrared spectroscopy, mass spectroscopy, and elemental analysis. Antimicrobial activity of synthesized compounds is associated with six different types of bacteria (Escherichia coli  ATCC 35218,  E.coli  ATCC 25922,  Klebsiella pneumoniae  NCTC 9633,  Pseudomonas aeruginosa  ATCC 27853,  Salmonella typhimurium  ATCC 13311,  Staphylococcus aureus  ATCC 25923), and four different  Candida (C. albicans  ATCC 24433,  C. glabrata  ATCC 90030,  C. krusei  ATCC 6258,  C. parapsilosis  ATCC 22019). Synthesized compounds showed weak antibacterial activity. However, 3a, 3b, and 3c compounds against C. albicans of the Candida species were found to show promising activity. Given the effect of substituents on antifungal activity, it is seen that the compounds 3a, 3b, and 3c carry chlorine, methyl, and fluoro substituents on the benzimidazole ring attract attention with higher activities. Molecular docking studies of 3a, 3b, and 3c were performed Schrödinger Glide XP against Candidas’ sterol 14-alpha demethylase (CYP51), and estimated ADME calculations were analyzed.

Makale detayları

Synthesis, molecular docking, in silico ADME and antimicrobial activity studies of some new benzimidazole-triazole derivatives

Yazarlar: Asaf Evrim EVREN | İsmail ÇELİK | Ulviye ACAR ÇEVİK

Ana Başlıklar: Farmakoloji ve terapötik

Dergi: Cumhuriyet Science Journal 2021 Vol.42 Issue 4, pp.795-805

Belge Tipi: Makale

Yayın Tarihi: 12/2021

Belge Dili: İngilizce

Document ID (Org No.): 2000920241

Sayı

Yazarlar:

Asaf Evrim EVREN | İsmail ÇELİK | Ulviye ACAR ÇEVİK

Ana Başlıklar:

Farmakoloji ve terapötik

Dergi:

Cumhuriyet Science Journal 2021 Vol.42 Issue 4, pp.795-805

Belge Tipi:

Makale

Yayın Tarihi:

12/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000920241