인문학
사회과학
자연과학
공학
의약학
농수해양학
예술체육학
복합학
DBpia AI
AI 에이전트
AI 아이디어
AI 리더
AI 뷰어
Citeasy
크롬 서지관리 다운로드
지원사업
학술연구/단체지원/교육 등 연구자 활동을 지속하도록 DBpia가 지원하고 있어요.
커뮤니티
연구자들이 자신의 연구와 전문성을 널리 알리고, 새로운 협력의 기회를 만들 수 있는 네트워킹 공간이에요.
초록·키워드
Dibenzyl methyl-substituted imidazolium salts were synthesized from readily available starting materials using conventional methods. Initially, benzyl bromide derivatives were employed to alkylate 2-methyl-5-nitroimidazole under reflux conditions, yielding mono-, di-, and tri-meric imidazolium salts in high yields. Subsequent anion-exchange reactions produced compounds with yields of 83-89%, while solid-phase, silica-supported processes further enhanced yields to 89-96%. The antibacterial activity of these compounds against six human pathogens (<i>Escherichia coli</i>, <i>Klebsiella pneumoniae</i>, <i>Pseudomonas aeruginosa</i>, <i>Proteus vulgaris</i>, <i>Staphylococcus aureus</i>, and <i>Enterococcus faecalis</i>) was evaluated using well diffusion and broth microdilution techniques. Notably, nitro-substituted imidazolium salts demonstrated significant antibacterial activity, with bromide variants exhibiting the strongest inhibition. Minimum inhibitory concentration values revealed potent bactericidal effects. In terms of ADMET properties, all synthesized compounds exhibited favorable profiles, including good gastrointestinal absorption, skin permeation, and minimal inhibitory effects on key cytochrome P450 enzymes. Molecular docking analysis revealed significant binding affinities, particularly for compounds 4 and 6, with bacterial proteins, highlighting key interactions such as hydrogen bonding and π-alkyl stacking. Molecular dynamic simulations of top compounds against bacterial target proteins exhibited stable interactions and conformations throughout 100 ns trajectories. These synthesized compounds showed promising antibacterial properties, warranting further investigation for potential therapeutic applications.
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오류를 발견하셨다면 해당 부분을 드래그한 후 ' 를 통해 신고해주세요.
오류를 발견하셨다면 해당 부분을 드래그한 후 ' 를 통해 신고해주세요.
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