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

共 113 条

[31] In vivo imaging of protein-protein and RNA-protein interactions using novel far-red fluorescence complementation systems [J].

Han, Yu ;

Wang, Shifeng ;

Zhang, Zhiping ;

Ma, Xiaohe ;

Li, Wei ;

Zhang, Xiaowei ;

Deng, Jiaoyu ;

Wei, Hongping ;

Li, Zhaoyang ;

Zhang, Xian-En ;

Cui, Zongqiang .

NUCLEIC ACIDS RESEARCH, 2014, 42 (13) :e103

[32] Luteolin and chrysin differentially inhibit cyclooxygenase-2 expression and scavenge reactive oxygen species but similarly inhibit prostaglandin-E2 formation in RAW 264.7 cells [J].

Harris, Gabriel K. ;

Qian, Yong ;

Leonard, Stephen S. ;

Sbarra, Deborah C. ;

Shi, Xianglin .

JOURNAL OF NUTRITION, 2006, 136 (06) :1517-1521

[33]

Harris Randall E, 2007, Subcell Biochem, V42, P93

[34]

Heidland A, 2006, J NEPHROL, V19, pS102

[35] Nonsteroidal anti-inflammatory drugs and risk of lung cancer [J].

Hernandez-Diaz, Sonia ;

Garcia Rodriguez, Luis A. .

INTERNATIONAL JOURNAL OF CANCER, 2007, 120 (07) :1565-1572

[36] REGULATION OF PROSTAGLANDIN SYNTHASE-1 AND PROSTAGLANDIN SYNTHASE-2 [J].

HERSCHMAN, HR .

CANCER AND METASTASIS REVIEWS, 1994, 13 (3-4) :241-256

[37] HUMAN CYCLOOXYGENASE-2 CDNA [J].

HLA, T ;

NEILSON, K .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1992, 89 (16) :7384-7388

[38] Cancer Chemoprevention by Targeting the Epigenome [J].

Huang, Joseph ;

Plass, Christoph ;

Gerhaeuser, Clarissa .

CURRENT DRUG TARGETS, 2011, 12 (13) :1925-1956

[39]

Huang MT, 1997, CANCER RES, V57, P2623

[40] Activation of phosphatidylinositol 3-kinase is required for tumor necrosis factor-α-induced upregulation of matrix metalloproteinase-9: Its direct inhibition by quercetin [J].

Hwang, Mun Kyung ;

Song, Nu Ry ;

Kang, Nam Joo ;

Lee, Ki Won ;

Lee, Hyong Joo .

INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY, 2009, 41 (07) :1592-1600

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