Inspired from the facts that majority of the drug administrated in the form of salts and “poison is in the dose”; herein, we have synthesized and characterized 1-methyl-3-alkylbenzimidazolium and 1-methyl-3-alkylimidazolium derived ionic salts with varying N-alkyl chains and different anions. These ionic salts were evaluated for their vermicidal activity (VA) and cell viability test against the Pheretima posthuma and A549 cell lines (human alveolar basal epithelial cells), respectively. The morphological changes in the test organism were visualized by the Scanning Electron Spectroscopy (SEM) to get the mechanistic insight. Furthermore, results were compared with VA of 1-methyl-3-alkylimidazolium derivatives to establish their structure-activity-relationship (SAR) of the fused benzene ring in 1-methyl-3-alkylimidazolium. The current findings suggested that the activity of these salts depends on the nature of N-alkyl side-chain, anionic moieties, varying partial charge on quaternary nitrogen (due to different anions) lipophilicity and types of cationic core fused with imidazolium ring. These findings were complemented by the quantitative-structure-activity-relationship (QSAR), molecular docking approaches to unfold the features accountable for their activities and binding patterns of the ligand-receptor complex respectively. ADME/T assessment of the ionic salts shows that twelve compounds qualified the ADMET profiling test & encompasses the drug-likeness features.

受到以下事实的启发：大多数药物以盐和“毒药在剂量”的形式给药；在本文中，我们已经合成并表征了具有变化的N-烷基链和不同的阴离子的1-甲基-3-烷基苯并咪唑鎓和1-甲基-3-烷基咪唑鎓衍生的离子盐。评估了这些离子盐的杀虫活性（VA）和针对腐殖质后腐殖质的细胞活力测试A549细胞和A549细胞系（人肺泡基底上皮细胞）。通过扫描电子光谱法（SEM）可视化受测生物的形态变化，从而获得机理上的见解。此外，将结果与1-甲基-3-烷基咪唑鎓衍生物的VA进行比较，以建立它们在1-甲基-3-烷基咪唑鎓中的稠合苯环的结构-活性-关系（SAR）。目前的发现表明，这些盐的活性取决于氮的性质。-烷基侧链，阴离子部分，季氮上不同的部分电荷（由于不同的阴离子），亲脂性和与咪唑环稠合的阳离子核的类型。这些发现得到了定量结构-活性-关系（QSAR），分子对接方法的补充，以分别揭示对其活性和配体-受体复合物的结合模式负责的特征。离子盐的ADME / T评估表明，有十二种化合物通过了ADMET分析测试，并且具有类药物特性。