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Unveiling the antimicrobial potency and binding interaction between sulfonamide substituted Schiff’s bases and BSA protein: An integrated experimental and theoretical approach
Journal of Molecular Liquids ( IF 6 ) Pub Date : 2024-04-09 , DOI: 10.1016/j.molliq.2024.124710
Ankita Garg , Anjali Vijeata , Ganga Ram Chaudhary , Aman Bhalla , Savita Chaudhary

Sulfonamide derived Schiff’s bases encompass significant properties such as antifungal, anti-inflammatory, anticancer, antibacterial, antiproliferative, and antioxidant and hold a central position in therapeutics and diagnostics. Hence, it is essential to comprehend their interconnection with carrier proteins such as Bovine serum albumin (BSA). Herein, two different sulfonamide derived Schiff’s base derivatives,N'-(2,5-Dimethoxybenzylidene)-4-methylbenzenesulfonohydrazide SB-1 and N'-(3-Bromo-4-methoxybenzylidene)-4-methylbenzenesulfonohydrazide SB-2 were synthesized by reacting respectivealdehydes with p-toluenesulfonyl hydrazide as the amine counterpart in absolute ethanol and structurally characterized by FT-IR,H andC NMR, elemental analyses, thermogravimetric analysis (TGA), mass spectrometry and single-crystal X-ray crystallography. The binding interactions between BSA andSB-1 and SB-2were made by employing UV–vis. absorption and fluorescence spectroscopy. Information about the binding constant was obtained from the absorbance enhancement and fluorescence quenching of BSA in the presence ofSB-1 and SB-2respectively. However, the binding efficiency ofSB-1was found to be superior to that of BSA in comparison toSB-2. The antibacterial potential ofSB-1 and SB-2 wastested on E. coliandS. aureus using thewell diffusion method.In silicoADME properties forSB-1 and SB-2were checked to assess their stability. The binding mechanisms to the specific enzymes associated with the BSA interaction and the antibacterial capabilities of theSB-1 and SB-2were further supported by molecular docking calculations. The detailed studies provide comprehensive data to support the utility of prepared Schiff’s bases as potential biomarkers in therapeutics.

中文翻译:

揭示磺酰胺取代席夫碱和 BSA 蛋白之间的抗菌效力和结合相互作用:一种综合实验和理论方法

磺酰胺衍生的希夫碱具有抗真菌、抗炎、抗癌、抗菌、抗增殖和抗氧化等重要特性,在治疗和诊断中占有核心地位。因此,了解它们与牛血清白蛋白 (BSA) 等载体蛋白的相互关系至关重要。本文通过以下方法合成了两种不同的磺酰胺衍生希夫碱衍生物:N'-(2,5-二甲氧基苯亚甲基)-4-甲基苯磺酰肼SB-1和N'-(3-溴-4-甲氧基苯亚甲基)-4-甲基苯磺酰肼SB-2。将各自的醛与作为胺对应物的对甲苯磺酰肼在无水乙醇中反应,并通过 FT-IR、H 和 C NMR、元素分析、热重分析 (TGA)、质谱和单晶 X 射线晶体学进行结构表征。 BSA 与 SB-1 和 SB-2 之间的结合相互作用是通过 UV-vis 进行的。吸收光谱和荧光光谱。关于结合常数的信息分别从SB-1和SB-2存在下BSA的吸光度增强和荧光猝灭获得。然而,与SB-2相比,发现SB-1的结合效率优于BSA。测试了SB-1和SB-2对大肠杆菌和大肠杆菌的抗菌潜力。使用井扩散法检测金黄色葡萄球菌。在计算机上检查SB-1和SB-2的ADME性质以评估它们的稳定性。分子对接计算进一步支持了与BSA相互作用相关的特定酶的结合机制以及SB-1和SB-2的抗菌能力。详细的研究提供了全面的数据来支持制备的希夫碱作为治疗学中潜在生物标志物的效用。
更新日期:2024-04-09
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