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Viscosine as a Potent and Safe Antipyretic Agent Evaluated by Yeast-Induced Pyrexia Model and Molecular Docking Studies
ACS Omega ( IF 3.7 ) Pub Date : 2019-08-21 00:00:00 , DOI: 10.1021/acsomega.9b01041 Akhtar Muhammad 1 , Behramand Khan 1 , Zafar Iqbal 2 , Amir Zada Khan 2 , Inamullah Khan 2 , Kashif Khan 3 , Muhammad Alamzeb 4 , Nasir Ahmad 1 , Khalid Khan 1 , Syed Lal Badshah 1 , Asad Ullah 1 , Sayyar Muhammad 1 , Muhammad Tariq Jan 1 , Said Nadeem 5 , Nurul Kabir 6
ACS Omega ( IF 3.7 ) Pub Date : 2019-08-21 00:00:00 , DOI: 10.1021/acsomega.9b01041 Akhtar Muhammad 1 , Behramand Khan 1 , Zafar Iqbal 2 , Amir Zada Khan 2 , Inamullah Khan 2 , Kashif Khan 3 , Muhammad Alamzeb 4 , Nasir Ahmad 1 , Khalid Khan 1 , Syed Lal Badshah 1 , Asad Ullah 1 , Sayyar Muhammad 1 , Muhammad Tariq Jan 1 , Said Nadeem 5 , Nurul Kabir 6
Affiliation
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The antipyretic potential of viscosine, a natural product isolated from the medicinal plant Dodonaea viscosa, was investigated using yeast-induced pyrexia rat model, and its structure–activity relationship was investigated through molecular docking analyses with the target enzymes cyclooxygenase-1 (COX-1), cyclooxygenase-2 (COX-2), and microsomal prostaglandin E synthase-1 (mPGES-1). The in vivo antipyretic experiments showed a progressive dose-dependent reduction in body temperatures of the hyperthermic test animals when injected with viscosine. Comparison of docking analyses with target enzymes showed strongest bonding interactions (binding energy −17.34 kcal/mol) of viscosine with the active-site pocket of mPGES-1. These findings suggest that viscosine shows antipyretic properties by reducing the concentration of prostaglandin E2 in brain through its mPGES-1 inhibitory action and make it a potential lead compound for developing effective and safer antipyretic drugs for treating fever and related pathological conditions.
中文翻译：
酵母诱导的高热模型和分子对接研究评价粘胶作为一种有效且安全的解热剂
粘胶的解热潜力，粘胶是从药用植物十二指肠（Dodonaea viscosa）中分离出来的天然产物，使用酵母诱导的发热大鼠模型进行了研究，并通过分子对接分析了与靶酶环氧合酶-1（COX-1），环氧合酶-2（COX-2）和微粒体前列腺素E合酶的结构-活性关系。 -1（mPGES-1）。体内解热实验表明，注射粘胶碱后，高温试验动物的体温逐渐呈剂量依赖性降低。与靶标酶对接分析的比较显示，粘胶与mPGES-1的活性位点之间的结合力最强（结合能-17.34 kcal / mol）。这些发现表明，粘胶碱通过降低前列腺素E 2的浓度而具有解热特性。 通过其mPGES-1抑制作用而在大脑中发挥作用，使其成为开发有效且更安全的退烧药以治疗发烧及相关病理状况的潜在先导化合物。
更新日期：2019-08-21
中文翻译：
酵母诱导的高热模型和分子对接研究评价粘胶作为一种有效且安全的解热剂
粘胶的解热潜力，粘胶是从药用植物十二指肠（Dodonaea viscosa）中分离出来的天然产物，使用酵母诱导的发热大鼠模型进行了研究，并通过分子对接分析了与靶酶环氧合酶-1（COX-1），环氧合酶-2（COX-2）和微粒体前列腺素E合酶的结构-活性关系。 -1（mPGES-1）。体内解热实验表明，注射粘胶碱后，高温试验动物的体温逐渐呈剂量依赖性降低。与靶标酶对接分析的比较显示，粘胶与mPGES-1的活性位点之间的结合力最强（结合能-17.34 kcal / mol）。这些发现表明，粘胶碱通过降低前列腺素E 2的浓度而具有解热特性。 通过其mPGES-1抑制作用而在大脑中发挥作用，使其成为开发有效且更安全的退烧药以治疗发烧及相关病理状况的潜在先导化合物。
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