Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
Browse
2 results
Search Results
Article Integrating QSAR Analysis and Machine Learning To Explore the Antidiabetic Potential of Natural Compounds(AMG Transcend Association, 2025) Sincar, B.; Yalcin, D.; Bayraktar, O.This study explores the antidiabetic potential of 72 natural compounds using molecular descriptors and QSAR modeling combined with machine learning techniques. The dataset includes 11 experimentally obtained compounds and 61 from the literature, characterized by their IC50 values indicating 50% inhibition of α-glucosidase enzyme activity. Molecular descriptors were generated using ChemAxon’s MarvinSketch and PADEL software, narrowing down over 3000 descriptors to 23 relevant features. Statistical analysis revealed significant multicollinearity among variables, necessitating the application of non-linear machine learning models, namely Random Forest and Gradient Boosting. These models demonstrated predictive capabilities with R² values of 0.7751 and 0.8066, respectively, and highlighted molecular weight and the number of heteroatoms in ring structures as critical features influencing IC50 values. Despite the dataset's variability and limited size, the study underscores the potential of integrating QSAR and machine learning approaches to effectively predict the antidiabetic activity of natural compounds. The findings provide valuable insights for advancing computational methods in drug discovery. © 2025 by the authors.Article Citation - Scopus: 2Electrospraying of Zein for the Preparation of Micro/Nano-particles Loaded With Sarcopoterium Spinosum Extract(AMG Transcend Association, 2019) Süngüc,C.; Erdogan,İ.; Uslu,M.E.; Bayraktar,O.Natural compounds that are isolated from various plant species have been the focus of folk medicine due to their bioactivities. Pharmaceutical, food and cosmetic industries also utilize these natural compounds with antioxidant and antimicrobial properties. Harsh processing and storage conditions causing loss of their bioactivities limit their applications. Therefore, biopolymeric carrier systems are required to preserve the natural bioactive compounds stability. Sarcopoterium spinosum is used in folkloric medicine for curing diabetes, gastrointestinal illnesses, cancer and pain. In this study, both solution and process parameters for electrospraying technique were investigated to encapsulate S. spinosum extract including natural bioactive compounds in zein particles. The best results were observed in 5% (w/v) of zein concentration in 70% aqueous ethanol. 0.3 ml/hour flow rate and 14 kV applied voltage were used in order to obtain narrow size distributionorbicular and smooth particle structure. The best mixture of S. spinosum extract and zein was achieved at weight ratio of 1:5. The zein microparticles with extract showed remarkable antioxidant activity. © 2019, AMG Transcend Association. All rights reserved.