Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-Selectin

Unique fucosylated chondroitin sulfate (FCS) extracted from the sea cucumber <i>Stichopus horrens</i> was subjected to deacetylation and deaminative depolymerization to generate oligosaccharide fragments containing anTal-diol, which were further purified to obtain the trisaccharide ShFCS...

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Main Authors: Caiyi Li, Huifang Sun, Xi Gu, Wen Long, Guangyu Zhu, Xiaolu Wu, Yu Wang, Pengfei Li, Le Sha, Jiali Zhang, Wenwu Sun, Na Gao, Zhili Zuo, Jinhua Zhao
Format: Article
Language:English
Published: MDPI AG 2025-05-01
Series:Marine Drugs
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Online Access:https://www.mdpi.com/1660-3397/23/6/236
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author Caiyi Li
Huifang Sun
Xi Gu
Wen Long
Guangyu Zhu
Xiaolu Wu
Yu Wang
Pengfei Li
Le Sha
Jiali Zhang
Wenwu Sun
Na Gao
Zhili Zuo
Jinhua Zhao
author_facet Caiyi Li
Huifang Sun
Xi Gu
Wen Long
Guangyu Zhu
Xiaolu Wu
Yu Wang
Pengfei Li
Le Sha
Jiali Zhang
Wenwu Sun
Na Gao
Zhili Zuo
Jinhua Zhao
author_sort Caiyi Li
collection DOAJ
description Unique fucosylated chondroitin sulfate (FCS) extracted from the sea cucumber <i>Stichopus horrens</i> was subjected to deacetylation and deaminative depolymerization to generate oligosaccharide fragments containing anTal-diol, which were further purified to obtain the trisaccharide ShFCS-3. Subsequently, the coupling of ShFCS-3 and 4-azidoaniline was achieved by reductive amination. After purification, the main product ShFCS-A1 and by-product ShFCS-A2 were obtained, which were identified as (N-(L-Fuc<sub>2S4S</sub>-α1,3-D-GlcA-β1,3-D-anTalA<sub>4S6S</sub>-1-)-4-azidoaniline) and (4S)-[2-(3-L-Fuc<sub>2S4S</sub>-α1)-D-GlcA-β1]-2,4,5-trihydroxy-5-sulfated-pent-2-enoic-acid) by 1D/2D NMR spectroscopy, respectively. ELISA experiments revealed that ShFCS-A1 exhibited P-selectin inhibition rates of 19.73% ± 9.60% at 1 μM, 96.28% ± 2.37% at 10 μM, and near-complete inhibition (99.92% ± 0.84%) at 100 μM. ShFCS-A2 demonstrated inhibition rates of 8.29% ± 3.00% at 1 μM, 74.02% ± 8.80% at 10 μM, and maximal inhibition approaching 100% at 100 μM. Cellular-level experiments revealed that ShFCS-A1 and ShFCS-A2 inhibited P-selectin binding to HL-60 cells by 92.72% ± 0.85% and 96.97% ± 1.16% at 100 μM, respectively. Molecular docking analysis indicated binding energies of −5.954 kcal/mol for ShFCS-A1 and −6.140 kcal/mol for ShFCS-A2 with P-selectin, confirming their potent inhibitory effects. These findings highlight the therapeutic potential of FCS oligosaccharides as pharmacophores and provide an important foundation for developing novel small-molecule P-selectin inhibitors.
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spelling doaj-art-beeb5aa650e54372b9d861f9ee8fc09c2025-08-20T03:27:28ZengMDPI AGMarine Drugs1660-33972025-05-0123623610.3390/md23060236Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-SelectinCaiyi Li0Huifang Sun1Xi Gu2Wen Long3Guangyu Zhu4Xiaolu Wu5Yu Wang6Pengfei Li7Le Sha8Jiali Zhang9Wenwu Sun10Na Gao11Zhili Zuo12Jinhua Zhao13School of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Chemistry and Materials Science, South-Central Minzu University, Wuhan 430074, ChinaState Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650201, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaCollege of Life Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaState Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650201, ChinaSchool of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, ChinaUnique fucosylated chondroitin sulfate (FCS) extracted from the sea cucumber <i>Stichopus horrens</i> was subjected to deacetylation and deaminative depolymerization to generate oligosaccharide fragments containing anTal-diol, which were further purified to obtain the trisaccharide ShFCS-3. Subsequently, the coupling of ShFCS-3 and 4-azidoaniline was achieved by reductive amination. After purification, the main product ShFCS-A1 and by-product ShFCS-A2 were obtained, which were identified as (N-(L-Fuc<sub>2S4S</sub>-α1,3-D-GlcA-β1,3-D-anTalA<sub>4S6S</sub>-1-)-4-azidoaniline) and (4S)-[2-(3-L-Fuc<sub>2S4S</sub>-α1)-D-GlcA-β1]-2,4,5-trihydroxy-5-sulfated-pent-2-enoic-acid) by 1D/2D NMR spectroscopy, respectively. ELISA experiments revealed that ShFCS-A1 exhibited P-selectin inhibition rates of 19.73% ± 9.60% at 1 μM, 96.28% ± 2.37% at 10 μM, and near-complete inhibition (99.92% ± 0.84%) at 100 μM. ShFCS-A2 demonstrated inhibition rates of 8.29% ± 3.00% at 1 μM, 74.02% ± 8.80% at 10 μM, and maximal inhibition approaching 100% at 100 μM. Cellular-level experiments revealed that ShFCS-A1 and ShFCS-A2 inhibited P-selectin binding to HL-60 cells by 92.72% ± 0.85% and 96.97% ± 1.16% at 100 μM, respectively. Molecular docking analysis indicated binding energies of −5.954 kcal/mol for ShFCS-A1 and −6.140 kcal/mol for ShFCS-A2 with P-selectin, confirming their potent inhibitory effects. These findings highlight the therapeutic potential of FCS oligosaccharides as pharmacophores and provide an important foundation for developing novel small-molecule P-selectin inhibitors.https://www.mdpi.com/1660-3397/23/6/236<i>Stichopus horrens</i>fucosylated chondroitin sulfatereductive aminationP-selectin
spellingShingle Caiyi Li
Huifang Sun
Xi Gu
Wen Long
Guangyu Zhu
Xiaolu Wu
Yu Wang
Pengfei Li
Le Sha
Jiali Zhang
Wenwu Sun
Na Gao
Zhili Zuo
Jinhua Zhao
Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-Selectin
Marine Drugs
<i>Stichopus horrens</i>
fucosylated chondroitin sulfate
reductive amination
P-selectin
title Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-Selectin
title_full Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-Selectin
title_fullStr Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-Selectin
title_full_unstemmed Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-Selectin
title_short Exploring the Inhibitory Effects of Fucosylated Chondroitin Sulfate (FCS) Oligosaccharide Isolated from <i>Stichopus horrens</i> and the Derivatives on P-Selectin
title_sort exploring the inhibitory effects of fucosylated chondroitin sulfate fcs oligosaccharide isolated from i stichopus horrens i and the derivatives on p selectin
topic <i>Stichopus horrens</i>
fucosylated chondroitin sulfate
reductive amination
P-selectin
url https://www.mdpi.com/1660-3397/23/6/236
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