Molecular docking analysis of known flavonoids as duel COX-2 inhibitors in the context of cancer

被引：14

作者：

Dash, Raju ^{[1
]}

Uddin, Mir Muhammad Nasir ^{[2
]}

Hosen, S. M. Zahid ^{[3
]}

Bin Rahim, Zahed ^{[1
]}

Dinar, Abu Mansur ^{[4
]}

Kabir, Mohammad Shah Hafez ^{[5
]}

Sultan, Ramiz Ahmed ^{[2
]}

Islam, Ashekul ^{[6
]}

Hossain, Md Kamrul ^{[2
]}

机构：

[1] BGC Trust Univ Bangladesh, Dept Pharm, Chittagong 4000, Bangladesh

[2] Univ Chittagong, Dept Pharm, Chittagong 4331, Bangladesh

[3] BCSIR, Pharmacol Res Div, MMDDL, Chittagong 4220, Bangladesh

[4] Sq Pharmaceut Ltd, Qual Control Operat, Dhaka, Bangladesh

[5] Int Islamic Univ Chittagong, Dept Pharm, Chittagong 4203, Bangladesh

[6] Univ Chittagong, Dept Biochem & Mol Biol, Chittagong 4331, Bangladesh

来源：

BIOINFORMATION | 2015年 / 11卷 / 12期

关键词：

COX-2; FlexX; ArgusLab; Flavonoids; Cancer;

D O I：

10.6026/97320630011543

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Cydooxygenase-2 (COX-2) catalyzed synthesis of prostaglandin E2 and it associates with tumor growth, infiltration, and metastasis in preclinical experiments. Known inhibitors against COX-2 exhibit toxicity. Therefore, it is of interest to screen natural compounds like flavanoids against COX-2. Molmular docking using 12 known flavanoids against COX-2 by FlexX and of ArgusLab were performed. All compounds showed a favourable binding energy of >-10 KJ/mol in FlexX and > -8 kcal/mol in ArgusLab. However, this data requires in vitro and in vivo verification for further consideration.

引用

页码：543 / 549

页数：7

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