Benzodioxane-Benzamides as Antibacterial Agents: Computational and SAR Studies to Evaluate the Influence of the 7-Substitution in FtsZ Interaction.,ChemMedChem

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Benzodioxane-Benzamides as Antibacterial Agents: Computational and SAR Studies to Evaluate the Influence of the 7-Substitution in FtsZ Interaction.
ChemMedChem ( IF 3.6 ) Pub Date : 2019-11-21 , DOI: 10.1002/cmdc.201900537
Valentina Straniero ₁ , Victor Sebastián-Pérez ₂ , Martina Hrast ₃ , Carlo Zanotto ₄ , Andrea Casiraghi ₁ , Lorenzo Suigo ₁ , Irena Zdovc ₅ , Antonia Radaelli ₄ , Carlo De Giuli Morghen ₆ , Ermanno Valoti ₁

Affiliation

FtsZ is a crucial prokaryotic protein involved in bacterial cell replication. It recently arose as a promising target in the search for antimicrobial agents able to fight antimicrobial resistance. In this work, going on with our structure-activity relationship (SAR) study, we developed variously 7-substituted 1,4-benzodioxane compounds, linked to the 2,6-difluorobenzamide by a methylenoxy bridge. Compounds exhibit promising antibacterial activities not only against multidrug-resistant Staphylococcus aureus, but also on mutated Escherichia coli strains, thus enlarging their spectrum of action toward Gram-negative bacteria as well. Computational studies elucidated, through a validated FtsZ binding protocol, the structural features of new promising derivatives as FtsZ inhibitors.

中文翻译：

苯并二恶烷-苯甲酰胺类作为抗菌剂：计算和SAR研究评估FtsZ相互作用中7-取代的影响。

FtsZ是参与细菌细胞复制的重要原核蛋白。最近，它成为寻找能够抵抗抗菌素耐药性的抗菌剂的有希望的目标。在这项工作中，继续进行结构-活性关系（SAR）研究，我们开发了各种7-取代的1,4-苯并二恶烷化合物，这些化合物通过亚甲氧基桥与2,6-二氟苯甲酰胺连接。这些化合物不仅对多药耐药的金黄色葡萄球菌显示出有希望的抗菌活性，而且还对突变的大肠杆菌菌株显示出有希望的抗菌活性，因此也扩大了它们对革兰氏阴性菌的作用范围。计算研究通过经过验证的FtsZ结合方案阐明了作为FtsZ抑制剂的新的有前途的衍生物的结构特征。

更新日期：2019-12-11

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