Roman Diana Larisa, Ostafe Vasile, Isvoran Adriana
Department of Biology-Chemistry and Advanced Environmental Research Laboratories, West University of Timisoara, 300223 Timisoara, Romania.
Mar Drugs. 2021 Feb 24;19(3):120. doi: 10.3390/md19030120.
It is widely recognized that chitin and chitosan are potential sources of bioactive materials and that their oligosaccharides reveal various biological activities (including antimicrobial) that are correlated with their structures and physicochemical properties. This study uses the molecular docking approach to assess the interactions of small chito-oligosaccharides (MW< 1500 Da) with plasma proteins in order to obtain information regarding their fate of distribution in the human organism. There are favorable interactions of small chito-oligomers with plasma proteins, the interactions with human serum albumin being stronger than those with α-1-acid glycoprotein. The interaction energies increase with increasing the molecular weight, decrease with increasing deacetylation degrees and are reliant on the deacetylation pattern. This study could inform the application of chito-oligosaccharides with varying molecular weights, degrees, and patterns of deacetylation in human health.
人们普遍认为，几丁质和壳聚糖是生物活性材料的潜在来源，并且它们的寡糖具有各种与结构和物理化学性质相关的生物活性（包括抗菌活性）。本研究采用分子对接方法评估小壳寡糖（分子量<1500 Da）与血浆蛋白的相互作用，以获取有关其在人体中分布命运的信息。小壳寡聚体与血浆蛋白存在良好的相互作用，与人血清白蛋白的相互作用强于与α-1-酸性糖蛋白的相互作用。相互作用能随分子量增加而增加，随脱乙酰度增加而降低，并且依赖于脱乙酰模式。本研究可为不同分子量、脱乙酰度和脱乙酰模式的壳寡糖在人类健康中的应用提供参考。
