Ezz Eldin Rogy R, Saleh Marwa A, Alwarsh Sefat A, Rushdi Areej, Althoqapy Azza Ali, El Saeed Hoda S, Abo Elmaaty Ayman
Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Port Said University, Port Said 42526, Egypt.
Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy (Girls), Al-Azhar University, Cairo 11651, Egypt.
Pharmaceuticals (Basel). 2023 Sep 4;16(9):1247. doi: 10.3390/ph16091247.
Herein, a series of new isatin derivatives was designed and synthesized (-) as broad-spectrum antiviral agents. Consequently, the antiviral activities of the synthesized compounds (-) were pursued against three viruses, namely influenza virus (H1N1), herpes simplex virus 1 (HSV-1), and coxsackievirus B3 (COX-B3). In particular, compounds , , and displayed the highest antiviral activity against H1N1, HSV-1, and COX-B3 with IC values of 0.0027, 0.0022, and 0.0092 µM, respectively. Compound was the safest, with a CC value of 315,578.68 µM. Moreover, a quantitative PCR (real-time PCR) assay was carried out for the most relevant compounds. The selected compounds exhibited a decrease in viral gene expression. Additionally, the conducted in silico studies emphasized the binding affinities of the synthesized compounds and their reliable pharmacokinetic properties as well. Finally, a structure-antiviral activity relationship study was conducted to anticipate the antiviral activity change upon future structural modification.
在此，设计并合成了一系列新型异吲哚酮衍生物作为广谱抗病毒剂。因此，研究了合成化合物对三种病毒的抗病毒活性，即甲型流感病毒（H1N1）、单纯疱疹病毒1型（HSV-1）和柯萨奇病毒B3型（COX-B3）。特别是，化合物 、 和 对H1N1、HSV-1和COX-B3表现出最高的抗病毒活性，IC值分别为0.0027、0.0022和0.0092 μM。化合物 是最安全的，CC值为315,578.68 μM。此外，对最相关的化合物进行了定量PCR（实时PCR）分析。所选化合物的病毒基因表达有所下降。此外，所进行的计算机模拟研究强调了合成化合物的结合亲和力及其可靠的药代动力学性质。最后，进行了结构-抗病毒活性关系研究，以预测未来结构修饰后抗病毒活性的变化。
