Finding Molecular Inhibitors of the Inflammatory Pathway in the Large Intestine Along with Molecular Dynamics with Emphasis on the Use of TCM Database

Abstract

Background: Due to the fact that colon inflammation is one of the most common diseases in the country, the interest in using herbal medicines to cure intestinal inflammation is increasing day by day. Objectives: In the present research, we aimed to identify the target molecules in the immune system by analyzing the transcriptome of these diseases and using the virtual screening technique to search for plant compounds that have antagonistic capabilities for these receptors. Also, by using this in vitro culture, check and confirm the anti-inflammatory properties of these compounds. Methods: The population study includes 200 human transcriptome runs, about 60 thousand compounds related to medicinal plants, and in vitro experiments with at least three experimental replicates and three technical replicates. In this study, the anticancer and immunomodulatory effects of aqueous extracts of rosemary and nettle medicinal plants were investigated as a promising source of cancer treatment against the AGS cell line derived from gastric cancer (AGS-Cell-DGC). IC50 of the extracts was determined by MTT assay. Flow cytometry and real-time PCR (RT-PCR) were measured. Results: The MTT test on the survival percentage of AGS cell line (90%) derived from gastric cancer showed that the highest amount of live cells was observed in control, and the lowest amount was observed in the simultaneous combination of rosemary and nettle extract and then nettle (100%). The highest expression of interleukin 1-beta (IL-1β) gene occurred in the control, and the lowest expression occurred in the simultaneous combination of nettle and rosemary extracts. The highest expression of tumor necrosis factor-alpha (TNF-α) gene occurred in the control, and the lowest expression occurred in the simultaneous combination of nettle and rosemary extracts. Conclusions: The results showed that the highest amount of live cells was observed in the control, and the lowest amount was observed in the simultaneous combination of rosemary and nettle extract and then nettle (100%) alone. However, further clinical trials are needed to confirm the results of this research.