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

ABSTRACT: Cyclooxygenase-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. Molecular 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.

SUBMITTER: Dash R

PROVIDER: S-EPMC4702032 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature

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