Abstract：
The development of bacterial resistance to chemical therapy poses a severe danger to efficacy of treating bacterial infections. One of the key factors for resistance to antimicrobial medications is growth of bacteria in biofilm. Quorum sensing (QS) inhibition was created as an alternative treatment by developing novel anti-biofilm medicines. Cell-cell communication is impeded by QS inhibition, which targets QS signaling pathway. The goal of this work is to develop newer drugs that are effective against Pseudomonas aeruginosa by decreasing QS and acting as anti-biofilm agents. In this investigation, N-(benzo[d]thiazol-2-yl)benzamide/N-(thiazol-2-yl)benzamide derivatives 3a-h were designed and synthesized in good yields. Further, molecular docking analyses revealed that binding affinity values were founded -11.2 to -7.6 kcal/mol that were moderate to good. The physicochemical properties of these prepared compounds were investigated through in-silico method. Molecular dynamic simulation was also used to know better understanding of stability of the protein and ligand complex. Comparing N-(benzo[d]thiazol-2-yl)benzamide 3a to salicylic acid (4.40±0.10) that was utilised as standard for quorum sensing inhibitor, the anti-QS action was found greater for N-(benzo[d]thiazol-2-yl)benzamide 3a (4.67±0.45) than salicylic acid (4.40±0.10). Overall, research results suggested that N-(benzo[d]thiazol-2-yl)benzamide/N-(thiazol-2-yl)benzamide derivatives 3a-h may hold to develop new quorum sensing inhibitors.
摘要：
细菌对化学治疗的抗性的发展对治疗细菌感染的功效构成严重危险。抗微生物药物耐药性的关键因素之一是生物膜中细菌的生长。群体感应（QS）抑制是通过开发新的抗生物膜药物作为替代治疗产生的。细胞间通讯受到QS抑制的阻碍,其目标是QS信号通路。这项工作的目标是开发通过降低QS并充当抗生物膜剂而有效对抗铜绿假单胞菌的更新药物。在这次调查中,设计并合成了N-（苯并[d]噻唑-2-基）苯甲酰胺/N-（噻唑-2-基）苯甲酰胺衍生物3a-h，收率良好。Further,分子对接分析显示，结合亲和力值为-11.2至-7.6kcal/mol，中等至良好。通过硅方法研究了这些制备化合物的理化性质。还使用分子动力学模拟来更好地了解蛋白质和配体复合物的稳定性。比较N-(苯并[d]噻唑-2-基)苯甲酰胺3a与水杨酸(4.40±0.10),后者用作群体感应抑制剂的标准,发现N-（苯并[d]噻唑-2-基）苯甲酰胺3a（4.67±0.45）的抗QS作用大于水杨酸（4.40±0.10）。总的来说,研究结果表明，N-（苯并[d]噻唑-2-基）苯甲酰胺/N-（噻唑-2-基）苯甲酰胺衍生物3a-h可能有助于开发新的群体感应抑制剂。
