Design and evaluation of new genetic structures capable of digesting carcinogenic aromatic hydrocarbons to develop strains of probiotics

Polycyclic aromatic hydrocarbons with mutagenesis ability are the known risk factors for various diseases including cancer diseases [1, 2]. In humans, these compounds are absorbed through the lungs, skin and gastrointestinal system and decomposition solutions is a promising way that can prevent the effects of these compounds [3]. In this study, designing and evaluation of a new genetic structure were on the agenda which it is capable of digesting aromatic hydrocarbons to develop probiotic strains for cancer prevention based bacterial catechol dioxygenase [4, 5]. For this purpose, the required sequences were obtained, by using the NCBI database and UniProt. The molecular monitoring of sequence was done by the programs including search CD, Motif Scan, Blast, MEGA6, Hex and ClusPro2.0. Molecular dynamics calculations of 1,2-CTD and the new derived structure were measured by Gromacs 5.07 application under OPLS force field in physiological and pasteurization temperature over time 500ps for the NVT and NPT and 20ns for MD stage. Auto Dock Vina program was used to assess enzyme binding affinity to the hydrocarbon substrates [6, 7]. Therefore, the optimized structure was cloned after synthesis in PET21a expression vector. The results of this lead to determine of physicochemical, structural and functional characterization of 1,2-CTD. On the other hand, the structural optimization of these enzymes during 20 ns produce of a new miniature structure with more structural and functional stability than the native enzyme that expression and performance evaluation to digest aromatic hydrocarbons is undertaken.

کلیدواژه ها:

Aromatic hydrocarbons ، Cancer ، Probiotics ، Protein simulation