2023
DOI: 10.2174/1568026623666230106121527
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Study on Molecular Anti-tumor Mechanism of 2-Thiohydantoin Derivative based on Molecular Docking and Bioinformatic Analyses

Abstract: Objective: Several methods for synthesizing 2-thiohydantoin derivatives have been devised and exploited, and they have found widespread application as antioxidants, antimicrobials, antivirals, and anticancer agents. As a result, we tried to understand the underlying processes of the 2-thiohydantoin derivative's anti-LIHC activity. Methods: We predicted the anticancer mechanism of N-(4-oxo-5-(2-oxo-2-(p-tolylamino)ethyl)-3-phenyl-2-thioxoimidazolidin-1-yl)benzamide as a derivative of 2-thiohydantoin by utiliz… Show more

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Cited by 4 publications
(2 citation statements)
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“…A simulation interaction figure was used to comprehensively investigate the MD simulation data. The root mean square deviation (RMSD) of the DPP4-metformin complex, the DPP4’s root mean square fluctuation (RMSF), the DPP4-ligand interaction figure, the interacting amino acid residues with the ligand in each trajectory frame, and the trajectory of different ligand properties were all investigated in comparison to sitagliptin as the control [ 17 , 19 ].…”
Section: Methodsmentioning
confidence: 99%
“…A simulation interaction figure was used to comprehensively investigate the MD simulation data. The root mean square deviation (RMSD) of the DPP4-metformin complex, the DPP4’s root mean square fluctuation (RMSF), the DPP4-ligand interaction figure, the interacting amino acid residues with the ligand in each trajectory frame, and the trajectory of different ligand properties were all investigated in comparison to sitagliptin as the control [ 17 , 19 ].…”
Section: Methodsmentioning
confidence: 99%
“…Accumulating research has highlighted the essential role of the tumor microenvironment (TME) in the progression of HCC ( 5 - 7 ). The TME is mainly composed of recruited immune cells and stromal cells that interact with cancer cells to promote the process of proliferation by resisting cell apoptosis and evading immune surveillance, ultimately affecting tumor metastasis, treatment effectiveness, and survival ( 6 - 8 ).…”
Section: Introductionmentioning
confidence: 99%