Structure, conformation, and dynamics of bioactive oligosaccharides: theoretical approaches and experimental validations
In nature, carbohydrates form an important family of biomolecules, as simple or complex
carbohydrates, either alone or covalently linked to proteins or lipids. Most of the earlier …
carbohydrates, either alone or covalently linked to proteins or lipids. Most of the earlier …
Screening of potential inhibitors targeting the main protease structure of SARS-CoV-2 via molecular docking, and approach with molecular dynamics, RMSD, RMSF, H …
AM da Fonseca, BJ Caluaco, JMC Madureira… - Molecular …, 2024 - Springer
Abstract Severe Acute Respiratory Syndrome caused by a coronavirus is a recent viral
infection. There is no scientific evidence or clinical trials to indicate that possible therapies …
infection. There is no scientific evidence or clinical trials to indicate that possible therapies …
Carbohydrate force fields
Carbohydrates present a special set of challenges to the generation of force fields. First, the
tertiary structures of monosaccharides are complex merely by virtue of their exceptionally …
tertiary structures of monosaccharides are complex merely by virtue of their exceptionally …
[BOG][B] Conformation of carbohydrates
VSR Rao - 2019 - taylorfrancis.com
This text will give the reader a firm understanding of all aspects of carbohydrate
conformation by describing and explaining the importance of interactions between …
conformation by describing and explaining the importance of interactions between …
Insights into a class of natural eugenol and its optimized derivatives as potential tobacco mosaic virus helicase inhibitors by structure-based virtual screening
Z Li, B Yang, Y Ding, J Meng, J Hu, X Zhou, L Liu… - International Journal of …, 2023 - Elsevier
Plant diseases caused by malignant and refractory phytopathogenic viruses have
considerably restricted crop yields and quality. To date, drug design targeting functional …
considerably restricted crop yields and quality. To date, drug design targeting functional …
Thermodynamics of monosaccharide binding to concanavalin A, pea (Pisum sativum) lectin, and lentil (Lens culinaris) lectin.
Titration calorimetry measurements of the binding of methyl alpha-D-mannopyranoside (Me
alpha Man), D-mannopyranoside (Man), methyl alpha-D-glucopyranoside (Me alpha Glu) …
alpha Man), D-mannopyranoside (Man), methyl alpha-D-glucopyranoside (Me alpha Glu) …
Diversity-oriented synthesis of spiropyrrolo [1, 2-a] isoquinoline derivatives via diastereoselective and regiodivergent three-component 1, 3-dipolar cycloaddition …
A Toumi, S Boudriga, K Hamden, I Daoud… - The Journal of …, 2021 - ACS Publications
An efficient diastereoselective route is developed to get access to novel spiropyrrolo [1, 2-a]
isoquinoline-oxindole skeletons by a one-pot three-component [3+ 2] cycloaddition reaction …
isoquinoline-oxindole skeletons by a one-pot three-component [3+ 2] cycloaddition reaction …
In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment
In silico studies performed on the metabolites of four Cameroonian medicinal plants with a
view to propose potential molecules to fight against COVID-19 were carried out. At first …
view to propose potential molecules to fight against COVID-19 were carried out. At first …
Molecular modelling of the specific interactions involved in the amylose complexation by fatty acids
MC Godet, V Tran, MM Delage, A Buleon - International Journal of …, 1993 - Elsevier
Comprehensive modelling of a fatty acid molecule inside a VH amylose helix is described. In
a first step, the docking of an acetic acid molecule near the helix entry was performed. The …
a first step, the docking of an acetic acid molecule near the helix entry was performed. The …
Involvement of water in carbohydrate− protein binding
C Clarke, RJ Woods, J Gluska, A Cooper… - Journal of the …, 2001 - ACS Publications
The interactions of trimannosides 1 and 2 with Con A were studied to reveal the effects of
displacement of well-ordered water molecules on the thermodynamic parameters of protein …
displacement of well-ordered water molecules on the thermodynamic parameters of protein …