Original Research 17 Eurasian Clinical and Analytical Medicine Sultan Mehtap Büyüker Department of Pharmacy Services, Vocational School of Health Services, Usküdar University, Istanbul, Turkey Molecular interactions of Ferula latisecta In silico study of Ferula latisecta-derived compounds molecular interactions with α-glucosidase Abstract Aim: Our study aimed to investigate the sulfur compounds' antidiabetic effect in Ferula latisecta. Material and Methods: The molecular docking method investigated the α-glucosidase inhibitory effect of the components. In our study, the pharmacokinetic properties of Ferula latisecta compounds were also investi- gated with the SwissADME method, and the toxicity risk analyzes were investigated with Protox II tools. Ferula latisecta compounds were drawn from the literature in Chemdraw and and α-glucosidase enzyme structure was obtained from Protein Data Bank. Finally, the molecular interaction analysis between α-glucosidase and compounds from Ferula latisecta was performed by AutoDock 1.5.7. Molecular interactions were investigated using Discovery Studio Visualizer and Ligplot 2.1 program. Results: All the selected sulfur compounds from Ferula latisecta followed Lipinski’s rules, had sufficient binding energy, and lacked toxicity; therefore, they were appropriate candidates for α-glucosidase inhibition. Among these compounds, 2-(4-hydroxyphenyl) ethyl lignocerate and isosco-poletin showed the lowest binding energy and the highest inhibitory effect on α-glucosidase enzyme with −9.1 and −7.7 kcal/mol, respectively. Discussion: These compounds also indicated a lower binding energy than the standard inhibitor (miglitol). Among the sulfur compounds in Ferula latisecta 2-(4-hydroxyphenyl) ethyl lignocerate and isoscopoletin were predicted to be the potent inhibitors due to having more hydrogen bonds and hydrophobic interactions with the active site of α-glucosidase. Keywords In Silico, α-Glucosidase Inhibition, Molecular, Ferula latisecta, Diabetes DOI:10.4328/ECAM.10065 Received : 2023-09-05 Accepted : 2023-10-12 Published Online : 2023-10-14 Printed Online : 2023-10-15 Corresponding Author: Sultan Mehtap Büyüker, Department of Pharmacy Services, Vocational School of Health Services, Usküdar University, 34664, Usküdar, Istanbul, Turkey. • E-Mail: sultanmehtap.buyuker@uskudar.edu.tr • P: +90 532 324 21 53 • Corresponding Author ORCID ID: https://orcid.org/0000-0002-1344-540X Eu Clin Anal Med 2023; 11(Suppl 1):S17-21 How to cite this article: Sultan Mehtap Büyüker. In silico study of Ferula latisecta-derived compounds molecular interactions with α-glucosidase. Eu Clin Anal Med 2023; 11(Suppl 1):S17-21