Author: Eshchanov, Khushnudbek; Polvonova, Gulinur; Shigabutdinov, Amir; Baltaeva, Mukhabbat; Esomurodova, Risolat

Annotation: In addition to being the primary raw material for the silk textile industry, materials based on silk fibroin and its compounds with various metals are also of significant importance. Studies have been conducted on the sorption of certain metal ions by silk fibroin and the formation of complex compounds through interactions with these ions. However, many scientific studies have not fully explored which amino acid sequences in silk fibroin bind with copper(II) ions. Using quantum chemical calculations, molecular docking methods, and other theoretical calculation methods, it was studied which amino acid sequences in silk fibroin are bound to by copper(II) ions. Through these calculations, an attempt was made to explain the structure of copper-fibroin. It was observed that the physical parameters related to the composition of the copper-fibroin complex determined based on calculations were consistent with the experimental results.

Keywords: Copper(II) ion, IR spectrum, quantum chemical calculation, silk fibroin, UV-Vis spectrum.

Pages in journal: 320 - 346