In Silico Docking Analysis and Admet Prediction of Thymoquinone Derivatives Against Ovarian Cancer

被引：1
|
作者：
Azmi, Mavara [1 ]
Syed, Imam Pasha [2 ]
Koneru, Anupama [3 ]
机构：
[1] Sultan ul Uloom Coll Pharm Mt Pleasant, Dept Pharmaceut Chem, 8-2-249 Rd 3, Hyderabad 500034, Telangana, India
[2] Sultan ul Uloom Coll Pharm Mt Pleasant, Dept Pharmaceut Qual Assurance, 8-2-249 Rd 3, Hyderabad 500034, Telangana, India
[3] Sultan ul Uloom Coll Pharm Mt Pleasant, Dept Pharmacol, 8-2-249 Rd 3, Hyderabad 500034, Telangana, India
来源：
ORIENTAL JOURNAL OF CHEMISTRY | 2021年 / 37卷 / 01期
关键词：
Thymoquinone; Nigella sativa; Analogs; Docking studies; Pharmacokinetic and Toxicological profile; EXTRACT;
D O I：
10.13005/ojc/370130
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：
Thymoquinone, the active constituent of Nigella sativa has been reported to have various biological activities. Due to its significance, various analogues of it have been synthesized and reported for anti-cancer activity. In the present research, we have taken the analogs of thymoquinone and performed docking study with an objective to find the binding pattern of all the molecules. Apart from this, pharmacokinetic parameters were predicted along with their toxicological parameters. From the results, the molecule Thy09 was found to have the optimized structure and further modification on this could lead to more potent compounds.
引用
收藏
页码：221 / 228
页数：8
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