6-芳基-2-苯乙烯基喹唑啉-4(3H)-酮的合成、生物学评价及分子对接研究
Synthesis, Biological Evaluation and Molecular Docking Studies of 6-Aryl-2-Styrylquinazolin-4(3H)-Ones.
作者信息
Agbo Emmanuel Ndubuisi, Makhafola Tshepiso Jan, Choong Yee Siew, Mphahlele Malose Jack, Ramasami Ponnadurai
机构信息
Department of Chemistry, College of Science, Engineering and Technology, University of South Africa, P. O. Box 392, Pretoria 0003, South Africa.
Department of Life and Consumer Sciences, College of Agriculture and Environmental Sciences, University of South Africa, Private Bag X06, Florida 1710, South Africa.
出版信息
Molecules. 2015 Dec 25;21(1):E28. doi: 10.3390/molecules21010028.
Suzuki-Miyaura cross-coupling of 6-bromo-2-styrylquinazolin-4(3H)-ones with arylboronic acids afforded a series of novel 6-aryl-2-styrylquinazolin-4(3H)-ones. These compounds were evaluated for potential anticancer properties against the human renal (TK-10), melanoma (UACC-62) and breast cancer (MCF-7) cell lines. Their antimicrobial properties were also evaluated against six Gram-positive and four Gram-negative bacteria, as well as two strains of fungi. Molecular docking studies (in silico) were conducted on compounds 5a, b, d and 6a, b, d-f to recognize the hypothetical binding motif of the title compounds within the active site of the dihydrofolate reductase and thymidylate synthase enzymes.
6-溴-2-苯乙烯基喹唑啉-4(3H)-酮与芳基硼酸的铃木-宫浦交叉偶联反应得到了一系列新型的6-芳基-2-苯乙烯基喹唑啉-4(3H)-酮。对这些化合物针对人肾癌细胞系（TK-10）、黑色素瘤细胞系（UACC-62）和乳腺癌细胞系（MCF-7）的潜在抗癌特性进行了评估。还针对六种革兰氏阳性菌、四种革兰氏阴性菌以及两种真菌菌株评估了它们的抗菌特性。对化合物5a、b、d和6a、b、d-f进行了分子对接研究（计算机模拟），以识别标题化合物在二氢叶酸还原酶和胸苷酸合成酶酶活性位点内的假定结合基序。
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