In the present study, novel 2-cyclopropyl-3-ethynyl-4-(4-fluorophenyl) quinolines (4a-l) were recognized and evaluated as G-Protein Coupled Receptor (GPCR) ligands through molecular evaluations. Thrombin mediates adhesion of mast cell, a type of cell abundantly found in connective tissue and releasing histamine and other substances during inflammatory and allergic reactions, through phosphoinositol 3-kinase pathway. With this background, as preliminary, 4a-l are resolute to be potential leads, designated from their effective phosphoinositol 3-kinase (PI3-Kinase) inhibition potentials, best-docked scores, comparative ligand efficiency, and significant structural attributes evaluated by ab initio simulations. Since thrombin is one of the main reason for various cancer invasion in association with PI3Kinase, a thrombolytic potential of the compounds also analyzed. The experimental in vitro studies confirmed the significant enhancement as PI3Kinase inhibitors and appreciable enhancement in MTT assay of breast and skin cancer cell lines. Significantly, acetophenone substituent in the quinoline scaffold could be coherent to note the significant binding affinity to all the evaluated drug targets.

在本研究中，新型2-环丙基-3-乙炔基-4-（4-氟苯基）喹啉（4a-1）被识别并通过分子评估被评估为G-蛋白质偶联受体（GPCR）配体。凝血酶介导肥大细胞的粘附，肥大细胞是一种在结缔组织中大量发现的细胞，并通过磷酸肌醇3-激酶途径在炎症和变态反应期间释放组胺和其他物质。在此背景下，作为初步知识，4a-1绝对是潜在的潜在客户，由其有效的磷酸肌醇3激酶（PI3-激酶）抑制潜能，最佳配比，相对配体效率和通过从头算起评估的重要结构属性来确定模拟。由于凝血酶是与PI3激酶相关的各种癌症侵袭的主要原因之一，因此还分析了这些化合物的溶栓潜力。体外实验研究证实，作为PI3Kinase抑制剂，乳腺癌和皮肤癌细胞系的MTT分析具有显着增强，并且显着增强。值得注意的是，喹啉支架中的苯乙酮取代基可能是连贯的，以表明与所有评估的药物靶标均具有显着的结合亲和力。