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帕里塔普雷维尔作为一种泛抗病毒药物,可以对抗不同类型的黄病毒病毒

R P Yadav¹, N R Jena¹

¹Discipline of Natural Sciences, Indian Institute of Information Technology, Design and Manufacturing, Jabalpur, India.

Frontiers in molecular biosciences

|April 18, 2025

概括

针对寨卡病毒,西尼罗河和登革热病毒的抗病毒药物如Ritonavir和Paritaprevir的重新使用显示出有希望. 帕里塔普雷维尔显示出强大的泛抗病毒活性,为这些病毒感染提供了潜在的治疗方法.

科学领域:

病毒学病毒学
药物发现药物发现药物发现
计算化学的计算化学

背景情况:

像寨卡病毒 (ZIKV),登革热 (DENV) 和西尼罗河病毒 (WNV) 这样的病毒感染对全球健康构成重大威胁.
目前的治疗方法有限,需要识别新型治疗剂.
病毒蛋白酶是抗病毒药物开发的关键目标.

研究的目的:

为了确定可以抑制ZIKV,DENV和WNV蛋白酶的现有抗病毒药物.
评估重新定制药物的结合亲和力和有效性,以对抗弗拉维病毒蛋白酶.
探索潜在的泛抗病毒药物用于治疗多种黄病毒感染.

主要方法:

使用GOLD 5.0进行分子对接,对20种HIV和HCV药物进行针对ZIKV蛋白酶的查.
用AMBER ff14SB力场对药物结合复合体进行分子动力学模拟.
使用MM/PBSA方法进行具有约束力的免费能源计算.

主要成果:

五种药物表现出与ZIKV蛋白酶的高结合亲缘关系.
里托纳维尔和帕里塔普雷维尔对ZIKV NS2B-NS3蛋白酶具有强烈的结合.
帕里塔普雷维尔对DENV和WNV蛋白酶有强烈的结合,这表明它具有泛抗病毒活性.

结论:

里托纳维尔和帕里塔普雷维尔是ZIKV蛋白酶的有效抑制剂.
帕里塔普雷维尔显示出作为一种针对ZIKV,DENV和WNV的广泛抗病毒药物的潜力.
药物重定向为开发新治疗法提供了一个可行的策略,用于治疗弗拉维病毒疾病.

关键词:

登革热病毒感染者在MD模拟中使用MD模拟.这种NS2B-NS3蛋白酶是NS2B-NS3蛋白酶.西尼罗河病毒病毒.寨卡病毒寨卡病毒停靠的对接方式全面抗病毒抗病毒

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