An in-silico investigation on the structure and function of the Phenanthrene degradative bacteria enzymes, an introduction to development of anti-cancer probiotics

Abstract

Gut flora, as an organ with extensive known and unknown capabilities, containing different kinds of bacteria with variousproperties. Some of these bacteria recognized as probiotics which in turn have beneficial effects on the health via digestionfacilitation and or production some complex compounds such as vitamins and antibiotics. In this regard, the performance of these bacteria in prevention and treatment of a range of diseases have been revealed. So, absorption and digestion the aromatic hydrocarbons (AH), which are in food, could be a promising strategy for the prevention of a wide range of diseases such as cancer via equipping the probiotics to the corresponding genes of AH catabolism or dairy enrichment with related enzymes. Bearing in mind, profiling and characterization the competent corresponding enzymes of AH metabolism would be providing approaches for cancer prevention, which are considered in this study through Phenanthrene. For this purpose, a profile of bacterial enzymes with capacity in Phenanthrene degradation has been gathered and then corresponding nucleotide and protein sequence were retrieved from related databases such as NCBI and UniProt. CD Search, Motif Scan, InterProScan, Blast, MEGA6, Hex and ClusPro2.0 were then used for molecular analysis of the selected sequences. Structural modeling carried out via Modeller program and assessment by MOE. Moreover, thermal stability of the selected domains performed via Gromacs program. The results of this study whilst presents a profile of the bacterial enzymes involved in Phenanthrene degradation, provided a series of efficient of domains with high binding affinity to Phenanthrene as well as other HA other hydrocarbons with temperature stability in some cases. Overall, these results led to provide a series of data for designing new genetic construct for probiotic development as well as chimeric enzymes production for AH, especially Phenanthrene, catabolism.