Molecular and docking studies of tetramethoxy hydroxyflavone compound from Artemisia absinthium against carcinogens found in cigarette smoke

Abstract

Artemisia absinthium (AA) is an indigenous medicine used for treatment of inflammation of the liver and chronic fever, and is studied as an antimalarial and anticancer agent. The focus of the current investigation was to determine the action and effect of AA on microRNAs (miRNAs) from breast cancer cell lines. Molecular docking is a structure-based drug design process that studies the interaction of small molecule ligands with receptor biomacromolecules to predict binding mechanism and affinity. MiRNA expression profiling was done using microarray technology. Validation of transcripts with regulated expression pattern was done by SYBR-based quantitative real time PCR (qRT-PCR). AutoDock 4.2 programming allots polar hydrogens, bound together total Kollman charges, solvation borders, and fragmental volumes to the protein using auto dock devices in docking research (ADT). As confirmed by SYBR-based RT-PCR, our investigation discovered an upregulation of the miRNA-22 articulation and a downregulation of miRNA-199a*. These findings support and demonstrate the role of AA as a miRNA articulation-influencing factor in human breast cancer progression. AA’s tetramethoxy hydroxyflavone (p7F) molecule was found to be effective in the treatment of cancer. Changes in miRNA expression patterns could be a key pathogenic component in AA’s physiological action on cancer cells.

Keywords

• artemisia absinthium
• docking studies
• mirna
• nicotine
• smoking