TY - JOUR AU - Albalawi, Ahmed H. AU - Almutairi, Saud M. AU - Aljuhani, Ateyatallah AU - Sahu, Pramod K. AU - Sahu, Praveen K. AU - Rezki, Nadjet AU - Aouad, Mohamed R. AU - Messali, Mouslim PY - 2020/01/31 Y2 - 2024/03/29 TI - Novel Fluorinated Imidazolium Ionic Liquids: Eco-friendly, Facile and Efficient Construction, Characterization, in vitro Anticancer Activity, Toxicity and in silico Analysis JF - Asian Journal of Chemistry JA - ajc VL - 32 IS - 3 SE - Articles DO - 10.14233/ajchem.2020.22491 UR - https://asianpubs.org/index.php/ajchem/article/view/32_3_34 SP - 690-396 AB - <p style="text-align: justify;">An efficient and facile synthesis of novel fluorinated imidazolium-tagged ionic liquids under microwave irradiation is described. Novel prepared ionic liquids was identified and confirmed by spectroscopic and elemental analysis. Synthesized ionic liquids (<strong>1-12</strong>) was explored for their antiproliferative inhibition potency against three selected human cancer cell lines (MCF-7, HepG-2 and CACO2). Screening results have revealed that some tested ionic liquids exhibited promising activity compared with standard drugs, especially compounds <strong>5</strong> and <strong>6</strong> which consistently produced low IC<sub>50</sub> values. Preliminary structure activity relationship (SAR) studies have been performed to identify the relation between molecular structure and activity. <em>in silico</em> Analysis of ionic liquids was carried out based on ADME, Lipinski rule, drug likeness, toxicity profiles and other physico-chemical properties. All compounds were safe in toxicity profile and computed LD<sub>50</sub> values were in accepted range (2.55-2.89 mol/kg). <em>in silico</em> Results have shown that Lipinski rule of five was in accept range, except compound <strong>1</strong> and <strong>2</strong>.</p> ER -