Computational Assessment of Chito-Oligosaccharides Interactions with Plasma Proteins
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...
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MDPI AG
2021-02-01
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Online Access: | https://www.mdpi.com/1660-3397/19/3/120 |
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doaj-10ac9a0a37a2410e9ac5e60f6c646f812021-02-25T00:03:58ZengMDPI AGMarine Drugs1660-33972021-02-011912012010.3390/md19030120Computational Assessment of Chito-Oligosaccharides Interactions with Plasma ProteinsDiana Larisa Roman0Vasile Ostafe1Adriana Isvoran2Department of Biology-Chemistry and Advanced Environmental Research Laboratories, West University of Timisoara, 300223 Timisoara, RomaniaDepartment of Biology-Chemistry and Advanced Environmental Research Laboratories, West University of Timisoara, 300223 Timisoara, RomaniaDepartment of Biology-Chemistry and Advanced Environmental Research Laboratories, West University of Timisoara, 300223 Timisoara, RomaniaIt 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.https://www.mdpi.com/1660-3397/19/3/120chito-oligosaccharideshuman serum albuminα-1-glycoprotein |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Diana Larisa Roman Vasile Ostafe Adriana Isvoran |
spellingShingle |
Diana Larisa Roman Vasile Ostafe Adriana Isvoran Computational Assessment of Chito-Oligosaccharides Interactions with Plasma Proteins Marine Drugs chito-oligosaccharides human serum albumin α-1-glycoprotein |
author_facet |
Diana Larisa Roman Vasile Ostafe Adriana Isvoran |
author_sort |
Diana Larisa Roman |
title |
Computational Assessment of Chito-Oligosaccharides Interactions with Plasma Proteins |
title_short |
Computational Assessment of Chito-Oligosaccharides Interactions with Plasma Proteins |
title_full |
Computational Assessment of Chito-Oligosaccharides Interactions with Plasma Proteins |
title_fullStr |
Computational Assessment of Chito-Oligosaccharides Interactions with Plasma Proteins |
title_full_unstemmed |
Computational Assessment of Chito-Oligosaccharides Interactions with Plasma Proteins |
title_sort |
computational assessment of chito-oligosaccharides interactions with plasma proteins |
publisher |
MDPI AG |
series |
Marine Drugs |
issn |
1660-3397 |
publishDate |
2021-02-01 |
description |
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. |
topic |
chito-oligosaccharides human serum albumin α-1-glycoprotein |
url |
https://www.mdpi.com/1660-3397/19/3/120 |
work_keys_str_mv |
AT dianalarisaroman computationalassessmentofchitooligosaccharidesinteractionswithplasmaproteins AT vasileostafe computationalassessmentofchitooligosaccharidesinteractionswithplasmaproteins AT adrianaisvoran computationalassessmentofchitooligosaccharidesinteractionswithplasmaproteins |
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