Insilico Bioactivity And Molecular Docking Studies Of Thymol Against 4-Hydroxy Phenylpyruvate Dioxygenase (5hmq) As Anti-Cancer Agent

In the present work, we report Insilico docking studies of thymol by using auto dock software1.5.6 against the target protein 5HMQ and the ADMET properties were analyzed by Mol inspiration and OSIRIS property explore software’s. AutoDock is molecular modeling simulation software. It is especially effective for protein-ligand docking. 5HMQ is a xylose isomerase-like TIM barrel/4-hydroxyphenylpyruvate dioxygenase fusion proteinwith 6 chain (A-F) structure.4-hydroxyphenylpyruvate dioxygenase (HPD) is an important modifier of tyrosine metabolism,which is a promising target for cancer treatment. However, the precise role of HPD to cancer metabolism and tumorigenesis remains unclear.Thymol (also known as 2-isopropyl-5-methylphenol, IPMP) is a natural monoterpenoid phenol derivative of p-Cymene.Docking studies of thymol against the active site of hydroxylphenylpyruvatedioxygenase indicated thatinteraction with the maximum site of the amino acid residue of cancer protein was crucial for anti-cancer activity. The results shows that thymol possess interesting biological activity against cancer.