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2-氯-3-氰基-4-硝基苄基溴化吡啶鎓作为一种强效抗肺癌分子,采用一步无溶剂法制备。

2-Chloro-3-cyano-4-nitrobenzyl pyridinium bromide as a potent anti-lung cancer molecule prepared using a single-step solvent-free method.

作者信息

Govindaraj Sadaiyan, Ganesan Kilivelu, Elumalai Perumal, Jeevitha Rajanathadurai, Subramani Annadurai, Amanullah Mohammed, Al-Samghan Awad Saeed

机构信息

PG& Research Department of Chemistry, Presidency College Chennai 600005 India

Cancer Genomics lab, Center for Global Health Research, Saveetha Medical College and Hospitals, Saveetha Institute of Medical and Technical Sciences Chennai 602105 India.

出版信息

RSC Adv. 2024 Aug 8;14(34):24898-24909. doi: 10.1039/d4ra03538k. eCollection 2024 Aug 5.

Abstract

Mono-/dimeric-substituted pyridinium and pyrazolium bromides were prepared under conventional and solvent-free silica-supported domestic microwave conditions. The atom economy, environmental product mass intensity and product mass intensity for solvent-free reactions showed significant importance for the synthesis of target molecules. 4-Nitrobenzyl-substituted pyridinium bromide showed potent anticancer properties compared with mono-/dimeric-substituted pyridinium and pyrazolium bromides against a lung cancer cell line (A-549). Molecular simulation studies were carried out for mono-/dimeric-substituted pyridinium and pyrazolium bromide against protein human CDK1/cyclinB1/CKS2 using the AutoDock program.

摘要

在常规和无溶剂硅胶负载的家用微波条件下制备了单/二聚体取代的吡啶鎓和吡唑鎓溴化物。无溶剂反应的原子经济性、环境产物质量强度和产物质量强度对目标分子的合成具有重要意义。与单/二聚体取代的吡啶鎓和吡唑鎓溴化物相比,4-硝基苄基取代的吡啶鎓溴化物对肺癌细胞系(A-549)显示出强大的抗癌特性。使用AutoDock程序对单/二聚体取代的吡啶鎓和吡唑鎓溴化物针对人蛋白CDK1/细胞周期蛋白B1/CKS2进行了分子模拟研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2bbe/11309018/67fd4a624581/d4ra03538k-s1.jpg

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