In silico ADMET, docking, anti-proliferative and antimicrobial evaluations of ethanolic extract of Euphorbia dendroides L

被引：5
作者：
Ali, Fahmy T. [1 ]
Yousef, Adel K. [2 ]
Ahmed, Fatma A. [2 ]
Elgneady, Fatma M. [2 ]
El-Adl, Khaled [3 ,4 ]
Elhady, Mostafa M. [1 ]
机构：
[1] Ain Shams Univ, Dept Biochem, Fac Sci, Cairo, Egypt
[2] Desert Res Ctr, Dept Med & Aromat plants, Cairo, Egypt
[3] Al Azhar Univ, Fac Pharm, Pharmaceut Med Chem & Drug Design Dept, Cairo 11884, Egypt
[4] Heliopolis Univ Sustainable Dev, Fac Pharm, Pharmaceut Chem Dept, Cairo, Egypt
来源：
SOUTH AFRICAN JOURNAL OF BOTANY | 2022年 / 150卷
关键词：
Anticancer agents; Antimicrobial agents; Euphorbia dendroides; Genistein; Molecular docking; DESIGN; DNA; GENISTEIN; SERUM; DERIVATIVES; DISCOVERY; BINDING; CANCER; INJURY;
D O I：
10.1016/j.sajb.2022.08.009
中图分类号：
Q94 [植物学];
学科分类号：
071001 ;
摘要：
Euphorbia dendroides can act as a free radical scavenger, so it protects against acute hepatic damage induced by CCl4 in rats. Also, it increases the Tm of salmon testis DNA from 68 degrees C to about 81 degrees C. In addition to that, it has shown good antibacterial effect against S. aureus, E. coli, B. subtilis and antifungal effect against A. niger. Along with showing good anticancer effects against HepG2 cells with IC50 = 9.5 mu g/mL, HCT-116 cells with IC50 = 13.6 mg/mL and MCF-7 with IC50 = 20.9 mg/mL. The docking study was carried out to explore how genistein, the main compound isolated from the extract of E. dendroides, binds to both VEGFR-2 and DNA active sites. Additionally, our compound displayed very well in Silico predicted ADMET profile. Genistein has better absorption (92.893) compared to sorafenib (84.731) and doxorubicin (62.37), as well as not showing any hepatotoxic effects. (c) 2022 SAAB. Published by Elsevier B.V. All rights reserved.
引用
收藏
页码：607 / 620
页数：14
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