II. INTERNATIONAL SCIENCES CONFERENCE
INVESTIGATION OF THE INTERACTION OF THE DRUG SEMAGLUTIDE (OZEMPIC, RYBELSUS) WITH OUTER MEMBRANE PROTEINS OF GUT BACTERIA IN SILICO
Yayıncı:
ASES Congress Organization Publishing
The aim of this study is to investigate the potential interactions of the drug Semaglutide (Ozempic, Rybelsus) with outer membrane proteins of gut bacteria at the molecular level. Semaglutide is a drug used in the treatment of type 2 diabetes, functioning as a GLP-1 receptor agonist. This orally administered drug regulates blood sugar by increasing insulin secretion and decreasing glucagon release. Given that the drug's mechanisms of action interact with the gut flora, exploring its potential interactions with gut bacteria can provide a better understanding of the drug's pharmacokinetic and pharmacodynamic properties. For bioinformatics analyses, 10 outer membrane proteins from gut bacteria were selected, and structural validation was performed using the UCSF Chimera tool. Structural validation studies involved adjusting parameters such as residue deficiencies and hydrogen addition. The minimized molecules were docked using HDOCK and AutoDock programs, and the results were visualized with the UCSF Chimera tool. Due to safety concerns, HDOCK docking scores are presented for only four bacterial outer membrane proteins (Escherichia coli: 1PHO, 1TR7; Proteus mirabilis: 6H1Q; Pseudomonas aeruginosa: 1OQW). Analyses show that Semaglutide yields significant docking scores with the outer membrane proteins of gut bacteria. The data indicate exothermic (heatreleasing) reactions, suggesting that the interactions occur spontaneously. These findings indicate that different bacteria in the gut microbiota are likely to interact with Semaglutide at the molecular level, providing important insights into the drug's effects on the digestive system
