In Silico and In Vitro Antiurolithic Effect of Extracts, Fractions, and Isolated Compounds From Eugenia mattosii

番樱桃提取物、组分和分离化合物的计算机模拟和体外抗尿路结石作用

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Abstract

Urolithiasis, a condition characterized by the formation of calcium oxalate stones in the urinary tract, remains a significant clinical challenge due to the limited availability of effective preventive therapies. This study investigated the antiurolithic potential of different preparations from Eugenia mattosii, a plant rich in phenolic constituents. Calcium oxalate (CaOx) precipitation was induced in rat urine samples. Potassium citrate (10 mg/mL) was used as the positive control, while the crude methanolic extract (CME), chloroform fraction (CLF), ethyl acetate fraction (EAF), pinostrobin (PIN), and cryptostrobin (CRY) were tested at concentrations ranging from 0.01 to 1 mg/mL. CME and EAF increased CaOx crystal formation, whereas CLF, PIN, and CRY significantly reduced crystal formation at 0.01 mg/mL. In silico ADMET analysis supported favorable pharmacokinetic and safety profiles for PIN and CRY. Molecular docking revealed strong interactions with MMP-9, suggesting a potential inhibitory effect that may reduce tissue injury and crystal nucleation. Overall, CLF and its flavonoids demonstrate promising antiurolithic activity.

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