Background: Herpes simplex Virus type 1 (HSV-1) is a contagious human pathogen causing severe infection. In recent decades, the virus has become dormant and resistant to available treatment creating the need for the development of new therapeutic agents against it. Benzotriazole is a versatile molecule with a wide range of activities like antibacterial, antiprotozoal, antiulcer, anthelmintic, and antiproliferative activity. Methods: A series of 2-(1H- benzotriazole-1-yl) N- substituted acetohydrazide derivatives were synthesized using the method given in the literature. The derivatives were obtained in good yield and characterized by spectral methods of analysis. The antiviral activity against the glycoprotein B of Herpes Simplex Virus-I (HSV-I) was determined using molecular docking (2GUM). Result: All compounds had strong binding affinity over the standard Acyclovir. Compound 5h had the highest binding affinity and the highest inhibitory activity. Conclusion: The Benzotriazole-N- substituted acetohydrazide derivatives has the highest binding affinity and good inhibition of glycoprotein B of Herpes Simplex Virus-I (HSV-I), which makes it a good antiviral agent.

中文翻译：

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与单纯疱疹病毒 I (HSV-I) 糖蛋白 B 结合的 2-(1H-苯并三唑-1-基) N-取代乙酰肼的虚拟筛选、ADMET 分析和合成

背景：1 型单纯疱疹病毒 (HSV-1) 是一种传染性人类病原体，可引起严重感染。近几十年来，该病毒已进入休眠状态并对现有治疗产生耐药性，因此需要开发新的治疗药物来对抗该病毒。苯并三唑是一种多功能分子，具有广泛的活性，如抗菌、抗原虫、抗溃疡、驱虫和抗增殖活性。方法：采用文献方法合成一系列2-(1H-苯并三唑-1-基)N-取代乙酰肼衍生物。衍生物的产率很高，并通过光谱分析方法进行了表征。使用分子对接 (2GUM) 测定了针对单纯疱疹病毒-I (HSV-I) 糖蛋白 B 的抗病毒活性。结果：所有化合物均比标准阿昔洛韦具有更强的结合亲和力。化合物5h具有最高的结合亲和力和最高的抑制活性。结论：苯并三唑-N-取代乙酰肼衍生物对单纯疱疹病毒-I（HSV-I）糖蛋白B具有最高的结合亲和力和良好的抑制作用，是一种良好的抗病毒药物。