Synthesis, Characterization, Antimicrobial and Molecular Docking Study of Benzooxadiazole Derivatives

dc.citation.epage33
dc.citation.issue1
dc.citation.spage25
dc.contributor.affiliationDijlah University College
dc.contributor.affiliationTikrit University
dc.contributor.authorNaji, Amel Mohson
dc.contributor.authorAbdula, Ahmed Mutanabbi
dc.contributor.authorNief, Olfat A.
dc.contributor.authorAbdullah, Ebtihal K.
dc.coverage.placenameЛьвів
dc.coverage.placenameLviv
dc.date.accessioned2024-01-22T10:41:34Z
dc.date.available2024-01-22T10:41:34Z
dc.date.created2022-03-16
dc.date.issued2022-03-16
dc.description.abstractСинтезовано 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.
dc.description.abstractIn this study, a series of new1,2,5-oxadiazole compounds derived from 4-chloro-7-nitro-benzo 1,2,5-oxadiazole was synthesized using different organic procedures. The resulting derivatives were chemically characterized and their structures were confirmed by FT-IR and NMR analysis. All the compounds were also evaluated for their antibacterial and antifungal activity against four types of pathogenic bacteria: S.aureus, S.epidermidis (as gram-negative bacteria), E.coli, Klebsiella spp. (as gram-positive bacteria) and the fungus Candida albicans using the agar well diffusion method. The synthesized oxadiazole derivatives exhibited significant antibacterial and moderate antifungal activities. Exploring the binding between the potent synthesized derivative 8 within the active site of glucosamine-6-phosphate synthase, the target enzyme for the antimicrobial agents was achieved using Autodock 4.2 package. The interaction modes of the generated conformers inside the binding pocket were found to enhance the in vitro results, and strongly recommended the new derivatives as promising antimicrobial agents.
dc.format.extent25-33
dc.format.pages9
dc.identifier.citationSynthesis, Characterization, Antimicrobial and Molecular Docking Study of Benzooxadiazole Derivatives / Amel Mohson Naji, Ahmed Mutanabbi Abdula, Olfat A. Nief, Ebtihal K. Abdullah // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2022. — Vol 16. — No 1. — P. 25–33.
dc.identifier.citationenSynthesis, Characterization, Antimicrobial and Molecular Docking Study of Benzooxadiazole Derivatives / Amel Mohson Naji, Ahmed Mutanabbi Abdula, Olfat A. Nief, Ebtihal K. Abdullah // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2022. — Vol 16. — No 1. — P. 25–33.
dc.identifier.doidoi.org/10.23939/chcht16.01.025
dc.identifier.urihttps://ena.lpnu.ua/handle/ntb/60957
dc.language.isoen
dc.publisherВидавництво Львівської політехніки
dc.publisherLviv Politechnic Publishing House
dc.relation.ispartofChemistry & Chemical Technology, 1 (16), 2022
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dc.rights.holder© Національний університет “Львівська політехніка”, 2022
dc.rights.holder© Naji A. M., Abdula A. M., Nief O. A., Abdullah, E. K., 2022
dc.subject1
dc.subject2
dc.subject5-оксадіазол
dc.subjectфуразани
dc.subjectантибактеріальні
dc.subjectпротигрибкові
dc.subjectдокінг
dc.subject1
dc.subject2
dc.subject5-oxadiazole
dc.subjectfurazans
dc.subjectantibacterial
dc.subjectantifungal
dc.subjectdocking
dc.titleSynthesis, Characterization, Antimicrobial and Molecular Docking Study of Benzooxadiazole Derivatives
dc.title.alternativeСинтез, характеристика, антимікробні дослідження та молекулярний докінг бензооксадіазольних похідних
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