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Синтез, характеристика, антимікробні дослідження та молекулярний докінг бензооксадіазольних похідних

Amel Mohson Naji1, Ahmed Mutanabbi Abdula2, Olfat A. Nief2, Ebtihal K. Abdullah3
Affiliation: 
1 Department of Optics Techniques, Dijlah University College, Baghdad, Iraq 2 Department of Chemistry, College of Science, Mustansiriyah University, Baghdad, Iraq 3 Department of Chemistry, College of Science, Tikrit‎ University, Tikrit, Iraq ahm.chem@yahoo.com
DOI: 
https://doi.org/10.23939/chcht16.01.025
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Abstract: 
Синтезовано серію нових 1,2,5-оксадіазольних сполук, отриманих з 4-хлор-7-нітро-бензо 1,2,5-оксадіазолу з використанням різних методик. Отримані похідні охарактеризовані, а їх структури підтверджені за допомогою Фур‘є-спектроскопії та ЯМР-аналізу. Визначено антибактеріальну та протигрибкову активність всіх компонентів щодо чотирьох видів патогенних бактерій: S.aureus, S.epidermidis (як грамнегативні бактерії), E.coli, Klebsiella spp. (як грампозитивні бактерії) та грибка Candida albicans з використанням методу дифузії в агарі. Встановлено, що синтезовані похідні оксадіазолу виявляють значну антибактеріальну та помірну протигрибкову активність. Досліджено зв'язування між ефективною синтезованою похідною 8 в активному центрі глюкозамін-6-фосфат синтази. Цільовий фермент для антимікробних засобів одержано за допомогою Autodock 4.2. Встановлено, що режими взаємодії генерованих конформерів у центрі зв'язування покращують результати in vitro. Нові похідні рекомендовано як перспективні антимікробні засоби.
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