In Vitro and In Silico Anti-Picornavirus Triterpene Alkanoic Acid Ester from Saudi Collection of Rhazya stricta Decne

被引：0

作者：

Abdel-Kader, Maged S. ^{[1
,2
]}

Almutib, Fahad S. ^{[3
]}

Aldosari, Abdullah F. ^{[3
]}

Soliman, Gamal A. ^{[4
,5
]}

Elzorba, Hisham Y. ^{[5
]}

Alqarni, Mohammed H. ^{[1
]}

Ibrahim, Reham S. ^{[2
]}

Zaatout, Hala H. ^{[2
]}

机构：

[1] Prince Sattam Bin Abdulaziz Univ, Coll Pharm, Dept Pharmacognosy, Al Kharj 11942, Saudi Arabia

[2] Alexandria Univ, Coll Pharm, Dept Pharmacognosy, Alexandria 21521, Egypt

[3] Prince Sattam Bin Abdulaziz Univ, Coll Pharm, Al Kharj 11942, Saudi Arabia

[4] Prince Sattam Bin Abdulaziz Univ, Coll Pharm, Dept Pharmacol, Al Kharj 11942, Saudi Arabia

[5] Cairo Univ, Coll Vet Med, Dept Pharmacol, Giza 12613, Egypt

来源：

METABOLITES | 2023年 / 13卷 / 06期

关键词：

Rhazya stricta; picornavirus; foot-and-mouth disease; triterpene alkanoic acid ester; structure elucidation; molecular docking; 3C(Pro); MOUTH-DISEASE; DRUG;

D O I：

10.3390/metabo13060750

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The total alcohol extract obtained from the aerial parts of R. stricta and fractions of the liquid-liquid fractionation process were tested against picornavirus-causing foot-and-mouth disease (FMD) based on the traditional use of the plant in Saudi Arabia. The most active petroleum ether soluble fraction was subjected to chromatographic purification, and nine compounds were isolated, identified using various chemical and spectroscopic methods, and tested for their anti-viral potential. The new ester identified as & alpha;-Amyrin 3-(3 & PRIME;R-hydroxy)-hexadecanoate (1) was the most active compound with 51% inhibition of the viral growth and was given the name Rhazyin A. Compounds with ursane skeleton were more active than those with lupane skeleton except in the case of the acid derivatives where betulenic acid showed 26.1% inhibition against the viral growth, while ursolic acid showed only 16.6% inhibition. Moreover, molecular docking analysis using a glide extra-precision module was utilized for investigating the possible molecular interactions accounting for anti-viral activity against picornavirus of the nine isolated compounds. Molecular docking studies revealed a strong binding of the discovered hits within the active site of FMDV 3C(pro). Compound 1 showed the lowest docking score within the nine isolated compounds comparable to the two known anti-viral drugs; glycyrrhizic acid and ribavirin. The results of this research will provide lead candidates from natural origin with potential safety and efficacy compared to the synthetic ones with lower production costs for managing FMVD.

引用

页数：15