茚并吡唑、茚嗪和茚并噻吩的新候选合成，以及抗癌和计算机研究。
Novel candidates synthesis of indenopyrazole, indenoazine and indenothiophene, with anticancer and in silico studies.
发表日期：2024
作者：
Magda H Abdellattif, Mohammed Gomma Assy, Ahmed Elfarargy, Fawzy Ramadan, Marwa S Elgendy, Abdul-Hamid M Emwas, Mariusz Jaremko, Wesam S Shehab
来源：
Environmental Technology & Innovation
摘要：
目的：茚满二酮核是药物化学中最令人惊奇的核之一，用于设计新的衍生物。方法
Aim: The indandione nucleus, is one of the most amazing nuclei in medicinal chemistry, is used to design new derivatives.Methods & materials: Novel indandione derivatives are prepared with different electrophilic and nucleophilic reagents to yield 3, 4, 8, 11, 14, 16, 19, 20, 21, 22 and 23. Compounds 8, 11, 16, 20 and 23 are investigated against OVCAR-3 and HeLa, using LLC-MK2 and cis-Pt as references. in silico and spectral studies were analyzed for the selected compounds.Results: Compounds 20 and 23 at 100 ns were the most potent compounds, so molecular dynamics studies were performed.Conclusion: Compound 23 was the most active toward the HeLa cervical cell line, and compound 20 was the most active toward the Ovcar-3 cell line.