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QSAR modeling of synthesized 3-(1,3-benzothiazol-2-yl) 2-phenyl quinazolin-4(3 H )-ones as potent antibacterial agents
Medicinal Chemistry Research ( IF 2.6 ) Pub Date : 2011-03-27 , DOI: 10.1007/s00044-011-9626-0
Pratibha Sharma , Ashok Kumar , Prerna Kumari , Jitendra Singh , M. P. Kaushik

Present communication elicits the designing and synthesis of 3-(1,3-benzothiazol-2-yl) 2-phenyl quinazolin-4(3H)-ones as potential antibacterial agents. A number of substituted 2-amino benzothiazoles, 2-amino-5-[(E)-phenyl diazenyl] benzoic acid, and 2-phenyl-4H benzo[d] [1,3] oxazin-4-one were synthesized as the precursor substrates. The compounds were synthesized in excellent yields and the structures were corroborated on the basis of IR, 1H NMR, Mass, and elemental analysis data. These compounds were screened in vitro for their antibacterial activity against a representative panel of Gram positive and Gram negative bacteria and models were generated through quantitative structure–activity relationship (QSAR).The activity contributions due to structural and substituent effects were determined using sequential regression procedure. The antimicrobial assay data show that the synthesized compounds are found to manifest profound antimicrobial activity.

中文翻译:

合成的3-(1,3-苯并噻唑-2-基)2-苯基喹唑啉-4(3 H)-作为强效抗菌剂的QSAR建模

目前的通讯引发了作为潜在抗菌剂的3-(1,3-苯并噻唑-2-基)2-苯基喹唑啉-4(3 H)-one的设计和合成。[( -一个数字取代的2-苯并噻唑氨基的,2-氨基-5- ë) -苯基二氮烯基]苯甲酸,和2-苯基-4- ħ恶嗪-4-酮合成为苯并[d] [1,3]前体基板。这些化合物以极高的收率合成,并且根据IR,1证实了结构1 H NMR,质量和元素分析数据。体外筛选了这些化合物对革兰氏阳性和革兰氏阴性细菌代表菌群的抗菌活性,并通过定量结构-活性关系(QSAR)建立了模型,并使用顺序回归程序确定了由于结构和取代作用而引起的活性贡献。抗菌测定数据表明,发现合成的化合物表现出深远的抗菌活性。
更新日期:2011-03-27
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