Computer-aided drug design and inhibitive effect of a novel nitrogenous heterocyclic compound and its mechanism on glioma U25I cells and breast cancer MCF-7 cells

Background: Glioma aid breast cancer are severe malignant cancerous tumors that highlight the importance of developing new anti-cancer drugs. The aim of this study was to explore the effects of a novel nitrogenous heterocyclic compound on glioma and breast cancer cells and to determine its mechanism of action. Methods: We designed and synthesized a novel nitrogenous heterocyclic compound, 3-(4-amino-lH-benzo[d]imidazole-2-carboxamido)-4-oxo-3,4-dihydroimiidazo[5,l-d][l,2,3,5] tetrazine-8-carboxamide, based on alkylglycerone phosphate synthase (AGPS) using computer-aided drug design (CADD), and we measured its effect on the proliferation, invasion, cell cycle and apoptosisof U251 glioma and MCF-7 breast cancer cells. In addition, the compound's effect on the expression of tumor-related mRNA, circular RNAs (circRNAs) and long non-coding RNAs (lncRNAs) was explored. Results: It was found that the nitrogenous heterocyclic compound could induce cell cycle arrest at the phase of U251/MCF-7 cells and activate apoptosis. Real-time PCR showed that the expression levels of tumor-related mRNA, circRNAs and lncRNAs were impacted. Conclusion: We concluded that the nitrogenous heterocyclic compound inhibits the proliferation and invasion of U251 glioma and MCF-7 breast cancer cells through the induction of apoptosis and cell cycle arrest by regulating tumor-related genes.