ArticleIranian journal of pharmaceutical research : IJPR
In Silico and in vitro Characterization of
Article in Iranian journal of pharmaceutical research : IJPR. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
5 authors.
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Abstract
Background: The human microbiota plays a crucial role in maintaining host health and is involved in various illnesses, including cancer. The intestinal microbiota has been identified as a factor in the development of colorectal carcinoma and breast cancer (BC). Objectives: This study investigated the anticancer properties of bacteriocins produced by Methods: Employing sophisticated computational methodologies, encompassing molecular docking and molecular dynamics (MD) simulations, this research elucidated the dynamic interactions and binding strengths of four distinct bacteriocins - Acidocin A, Acidocin B, Acidocin 8912, and Acidocin J1132β - with the ROR-1 receptor. This observation was substantiated by consistent hydrogen bond formation and low root mean square deviation (RMSD) values throughout the simulation period. Furthermore, the biological activity of crude acidocins was evaluated on the ROR-1-Src signaling axis in Michigan Cancer Foundation-7 (MCF-7) and MDA-MB-231 cell lines utilizing Western blot analysis. Results: The findings of this research demonstrate that Acidocin A exhibits promise as a prospective therapeutic intervention directed at ROR-1 in BC. Furthermore, the synergistic application of molecular docking, MD simulations, and molecular mechanics/Poisson-Boltzmann surface area (MM/PBSA) free energy calculations yielded a thorough elucidation of the underlying interaction mechanisms. The assessment of protein expression levels indicated a significant downregulation of the ROR-1-Src signaling pathway following treatment with Acidocins. Conclusions: This research highlights the potential of bacteriocins in cancer treatment and adds to evidence linking the microbiota to cancer, establishing new pathways for anticancer therapies from microbial sources.
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