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分子对接,DFT研究,以及从Fernandoa adenophylla中分离出来的peshawaraquinone的抗炎性评估

Taghrid S AlOmar¹, Abdur Rauf^1,2, Umer Rashid³

¹Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia.

Journal of biomolecular structure & dynamics

|September 14, 2023

概括

佩沙瓦拉基 (PAQ) 是一种天然化合物,在实验室和动物研究中显示出显著的抗炎作用. 这项研究强调了PAQQ.

科学领域:

自然产品化学自然产品化学
药理学药理学是指药理学的学科.
计算化学计算化学

背景情况:

对抗炎症疗法的天然化合物越来越感兴趣.
来自 *Fernandoa adenophylla* 的Peshawaraquinone (PAQ) 具有传统的用于缓解疼痛的用途.
需要科学验证PAQ的抗炎潜力.

研究的目的:

为了评估peshawaraquinone (PAQ) 的抗炎疗效.
用计算方法研究PAQ的作用机制.
探索PAQ作为一种潜在的天然抗炎剂.

主要方法:

在体外人体红细胞 (HRBC) 测试以评估膜稳定性.
在动物体内因烯诱导的耳模型.
密度功能理论 (DFT) 和对COX-1/COX-2点的分子对接研究.

主要成果:

在HRBC测定中,PAQ显示出显著的血液溶解抑制 (79.69%在100μM).
PAQ 减少了 74.19% 的烯诱导耳朵,耳朵厚度降低,并改善了他的病理学.
DFT和对接研究提供了对PAQ的光谱特性和与炎症点的相互作用的见解.

结论:

佩沙瓦拉基 (PAQ) 在体外和体外模型中都表现出强大的抗炎性质.
计算分析通过阐明其机制来支持PAQ作为抗炎剂的潜力.
在炎症条件下,PAQ需要进一步研究治疗应用.

关键词:

费尔南多亚腺类植物人体红血细胞检测试验它具有抗炎潜在的抗炎作用.佩沙瓦拉诺尼诺尼烯诱导的耳朵水模式

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