Pharmacology of heparin and related drugs

B Mulloy, J Hogwood, E Gray, R Lever, CP Page - Pharmacological reviews, 2016 - ASPET
Heparin has been recognized as a valuable anticoagulant and antithrombotic for several
decades and is still widely used in clinical practice for a variety of indications. The …

Predicting the structures of glycans, glycoproteins, and their complexes

RJ Woods - Chemical reviews, 2018 - ACS Publications
Complex carbohydrates are ubiquitous in nature, and together with proteins and nucleic
acids they comprise the building blocks of life. But unlike proteins and nucleic acids …

CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate–protein modeling

O Guvench, SS Mallajosyula, EP Raman… - Journal of chemical …, 2011 - ACS Publications
Monosaccharide derivatives such as xylose, fucose, N-acetylglucosamine (GlcNAc), N-
acetylgalactosamine (GlaNAc), glucuronic acid, iduronic acid, and N-acetylneuraminic acid …

Therapeutic targeting of TLR4 for inflammation, infection, and cancer: a perspective for disaccharide lipid A mimetics

H Heine, A Zamyatina - Pharmaceuticals, 2022 - mdpi.com
The Toll-like receptor 4 (TLR4) signaling pathway plays a central role in the prompt defense
against infectious challenge and provides immediate response to Gram-negative bacterial …

Molecular recognition and ligand association

R Baron, JA McCammon - Annual review of physical chemistry, 2013 - annualreviews.org
We review recent developments in our understanding of molecular recognition and ligand
association, focusing on two major viewpoints:(a) studies that highlight new physical insight …

A reoptimized GROMOS force field for hexopyranose‐based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers …

HS Hansen, PH Hünenberger - Journal of computational …, 2011 - Wiley Online Library
This article presents a reoptimization of the GROMOS 53A6 force field for hexopyranose‐
based carbohydrates (nearly equivalent to 45A4 for pure carbohydrate systems) into a new …

Structure-guided glyco-engineering of ACE2 for improved potency as soluble SARS-CoV-2 decoy receptor

T Capraz, NF Kienzl, E Laurent, JW Perthold… - Elife, 2021 - elifesciences.org
Infection and viral entry of SARS-CoV-2 crucially depends on the binding of its Spike protein
to angiotensin converting enzyme 2 (ACE2) presented on host cells. Glycosylation of both …

[HTML][HTML] Molecular simulations of complex carbohydrates and glycoconjugates

E Fadda - Current Opinion in Chemical Biology, 2022 - Elsevier
Complex carbohydrates (glycans) are the most abundant and versatile biopolymers in
nature. The broad diversity of biochemical functions that carbohydrates cover is a direct …

Synthesis of cello-oligosaccharides by depolymerization of cellulose: A review

P Chen, A Shrotri, A Fukuoka - Applied Catalysis A: General, 2021 - Elsevier
Cello-oligosaccharides (COS) are small carbohydrate molecules derived from cellulose
through partial hydrolysis. COS exert physiological influence on plants, animals and humans …

In-depth structural analysis of glycans in the gas phase

E Mucha, A Stuckmann, M Marianski, WB Struwe… - Chemical …, 2019 - pubs.rsc.org
Although there have been substantial improvements in glycan analysis over the past
decade, the lack of both high-resolution and high-throughput methods hampers progress in …