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鳄梨叶提取物对草酸钙结石抑制作用的体外和计算机模拟评估

In-vitro and In-silico evaluation of the inhibitory effects of Persea americana leaf extract against calcium oxalate stones.

作者信息

Akyol Emel, Danisman Merve, Oner Mualla

机构信息

Department of Chemical Engineering, Yildiz Technical University, Davutpasa Campus, Esenler, Istanbul, 34210, Turkey.

Department of Chemistry and Chemical Processing Technologies, Bayramic Vocational School, Çanakkale 18 Mart University, Çanakkale, 17700, Turkey.

出版信息

Urolithiasis. 2025 Jun 30;53(1):133. doi: 10.1007/s00240-025-01791-4.

Abstract

This study investigated the effects of Persea americana extract (PAE) as a potential inhibitor of calcium oxalate monohydrate growth using both in-vitro and in-silico methods with spontaneous crystallization to evaluate its effectiveness in preventing kidney stones. X-ray diffraction was used to characterize the morphology of calcium oxalate (CaOx) crystals, while scanning electron microscopy (SEM) was used to determine their particle size and crystal formation patterns. SwissADME (Absorption, Distribution, Metabolism, Excretion) computational analysis predicted the biological activity of the extract. The experimental results show that the inhibition of crystal growth increases with the amount of PAE in solution, and crystal growth was almost completely inhibited for 450 min at a concentration of 100 mL of PAE. The in vitro results also revealed that Persea americana leaf promoted the formation of calcium oxalate dihydrate (COD) crystals rather than monohydrate crystals. These findings on PAE's inhibitory effect on calcium oxalate crystallization suggest that natural additives could be valuable in treating kidney stone disease.

摘要

本研究采用体外和计算机模拟方法,通过自发结晶来研究鳄梨提取物(PAE)作为一水合草酸钙生长潜在抑制剂的效果,以评估其预防肾结石的有效性。利用X射线衍射对草酸钙(CaOx)晶体的形态进行表征,同时使用扫描电子显微镜(SEM)确定其粒径和晶体形成模式。SwissADME(吸收、分布、代谢、排泄)计算分析预测了该提取物的生物活性。实验结果表明,随着溶液中PAE含量的增加,晶体生长的抑制作用增强,在100 mL PAE浓度下,晶体生长在450分钟时几乎完全被抑制。体外实验结果还显示,鳄梨叶促进了二水合草酸钙(COD)晶体而非一水合晶体的形成。这些关于PAE对草酸钙结晶抑制作用的发现表明,天然添加剂在治疗肾结石疾病方面可能具有重要价值。

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