طراحی، سنتز، ارزیابی بیولوژیک و داکینگ مولکولی هیبریدهای جدید 2-آمینوایمیدازول-کینوکسالین به عنوان ترکیبات ضد سرطان

قنبری مسیر, زهرا and بخردنیا, احمدرضا and مرتضی سمنانی, کتایون and رفیعی, علیرضا and رزاقی اصل, نیما and کردان, مصطفی (1396) طراحی، سنتز، ارزیابی بیولوژیک و داکینگ مولکولی هیبریدهای جدید 2-آمینوایمیدازول-کینوکسالین به عنوان ترکیبات ضد سرطان. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ــ 194 . pp. 21-35. شاپا 1386-1425

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Design, synthesis, biological assessment and molecular docking studies of new 2-aminoimidazole-quinoxaline hybrids as potential anticancer agents

English Abstract

In a search for novel antiproliferative agents, a series of quinoxaline derivatives containing 2-aminoimidazole (8a–8x) were designed and synthesized. The structures of synthesized compounds were confirmed by IR, 1H NMR, 13C NMR, Mass Spectroscopy and analyzed using HSQC, COSY, ROESY, HMBC techniques. The anticancer activity of all derivatives were evaluated for colon cancer and breast cancer cell lines by the MTT assay and acridine orange/ethidium bromide double staining method. The anti-cancer effect in human colon cancer (HCT-116) and breast cancer (MCF-7) cell lines exhibited that compounds 8a, 8s, 8t, 8w, 8x appeared as potent antiproliferative agents and especially inhibited the human colon cancer cell proliferation with percentage of inhibition by over 50%. The most active compound was (E)-4-phenyl-1-((quinoxalin-2-ylmethylene)amino)-1H-imidazol-2-amine (8a) with the highest inhibition for MCF-7 (83.3%) and HCT-116 (70%) cell lines after 48 and 24 h, respectively. Molecular docking studies of these derivatives within c-kit active site as a validated target might be suggested them as appropriate candidates for further efforts toward more potent anticancer compounds.

Item Type:Article
زبان سند : انگلیسی
نویسنده اول :زهرا قنبری مسیر
نویسنده مسئول :احمدرضا بخردنیا
نویسنده :کتایون مرتضی سمنانی
نویسنده :علیرضا رفیعی
نویسنده :نیما رزاقی اصل
نویسنده :مصطفی کردان
Additional Information:IF: 2.931 Indexed in: ISI, Pubmed/Medline/Index Medicus, Scopus
کلیدواژه ها (انگلیسی):Quinoxaline; 2-Aminoimidazole; Molecular modeling; Antiproliferative agent; 2D NMR
Subjects:QV pharmacology > QV 744 Medicinal Chemistry
Divisions:School of Pharmacy > Department of Medicinal Chemistry
ID Code:9591
Deposited By: Mrs sepideh Dashti
Deposited On:18 Oct 1396 06:31
Last Modified:05 Dec 1400 08:51

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