Appraisal of hypotensive effect of natural monoterpene: Bornyl acetate and in-silico molecular docking analysis.

对接(动物) 生物信息学 药理学 化学 血压 阿托品 医学 生物化学 内科学 兽医学 基因
作者
Nabeela Noor,Alamgeer Umme Habiba Hasan,Bandar A. Alyami,Ali O. Alqarni,Yahya S. Alqahtani,Mater H. Mahnashi,Muhammad Akram,Sumera Qasim,Waqas Younis,Ejaz Ali,Rahat Shamim
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摘要

The modern trend of research is highly focused on finding new bioactive molecules from medicinal plants. As a functional bicyclic monoterpene, Bornyl acetate (BA) has displayed antioxidant and anti-inflammatory properties in different types of cells and tissues. The purpose of this research was to evaluate the probable hypotensive effect of BA, an underlying mechanism(s) backboned by in-silico studies. Mean arterial pressure and heart rate were recorded via invasive blood pressure measuring technique in normotensive Sprague-Dawley rats following the administration of BA (1-80mg/kg). Docking studies were carried out with various targets involved in the pathophysiology of hypertension.RO5 and ADMET properties were also evaluated. In the current study dose-dependent reduction in systolic, diastolic and mean arterial pressure was observed. Pretreatment with atropine and captopril significantly (p<0.001) reduced the hypotensive effect produced by BA. On the other hand docking studies showed pronounced interactions with M2 mAch receptor in an agonistic way and ACE protein in an antagonistic way. BA justified all cut-off limits of RO5 and had an acceptable predicted computational toxicity profile. Results postulate that dose-dependent hypotensive effect of BA is mediated through the muscarinic pathway and ACE inhibitory activity corresponding well with findings of in-silico studies.

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