Worachartcheewan Apilak, Pisutjaroenpong Somchai, Pingaew Ratchanok, Prachayasittikul Supaluk, Siriwong Suphakit, Ruchirawat Somsak, Prachayasittikul Virapong
Department of Community Medical Technology, Faculty of Medical Technology, Mahidol University, Bangkok 10700, Thailand.
Laboratory of Medicinal Chemistry, Chulabhorn Research Institute, Bangkok 10210, Thailand.
EXCLI J. 2022 Feb 1;21:360-379. doi: 10.17179/excli2021-4590. eCollection 2022.
A series of sixteen acetamidosulfonamide derivatives (-) have been synthesized and investigated for their antioxidant (radical scavenging and superoxide dismutase (SOD)) and antimicrobial activities. Most compounds exhibited antioxidant activities in which compound displayed the most potent radical scavenging and SOD activities. Quantitative structure-activity relationship (QSAR) has been studied using multiple linear regression. The constructed QSAR models displayed high correlation coefficient ( = 0.9708 and 0.8753 for RSA and SOD activities, respectively), but low root mean square error ( 0.5105 and 1.3571 for RSA and SOD activities, respectively). The structure-activity relationship showed that an ethylene group connected to pyridine ring provided significant antioxidant activities. The QSAR models give insight into the rational designed of eighty new sulfonamides with various electron donating and withdrawing groups. The top five new designed sulfonamides with nitro group are potential antioxidants to be further developed for medicinal applications.
已合成了一系列十六种乙酰氨基磺酰胺衍生物（-），并对其抗氧化（自由基清除和超氧化物歧化酶（SOD））及抗菌活性进行了研究。大多数化合物表现出抗氧化活性，其中化合物显示出最强的自由基清除和SOD活性。已使用多元线性回归研究了定量构效关系（QSAR）。构建的QSAR模型显示出较高的相关系数（RSA和SOD活性分别为 = 0.9708和0.8753），但均方根误差较低（RSA和SOD活性分别为 0.5105和1.3571）。构效关系表明，连接到吡啶环的乙烯基提供了显著的抗氧化活性。QSAR模型为合理设计八十种带有各种供电子和吸电子基团的新磺酰胺提供了思路。设计的带有硝基的前五种新磺酰胺是潜在的抗氧化剂，有待进一步开发用于医药应用。
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