Development and application of site mapping methods for the design of glycosaminoglycans

QR Code

Development and application of site mapping methods for the design of glycosaminoglycans

Glycosaminoglycans (GAGs) are complex polysaccharides involved in a wide range of biological signalling events, as well as being important as biological structural materials. Despite the ubiquity and importance of GAG-protein interactions in biological systems and potentially as therapeutic targets,...

Full description

Bibliographic Details
Main Authors:	Agostino, Mark, Gandhi, Neha, Mancera, Ricardo
Format:	Journal Article
Published:	Oxford University Place 2014
Subjects:	glycosaminoglycans site mapping molecular docking virtual screening interaction analysis
Online Access:	http://hdl.handle.net/20.500.11937/33384

Similar Items

Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational MethodCombined with Dynamic Simulations
by: Heady, L., et al.
Published: (2006)

A computational approach for exploring carbohydrate recognition by lectins in innate immunity
by: Agostino, Mark, et al.
Published: (2011)

Molecular modelling of the interactions of complex carbohydrates with proteins
by: Gandhi, Neha Sureshchandra
Published: (2011)

Kinetics of chemokine-glycosaminoglycan interactions control neutrophil migration into the airspaces of the lungs
by: Tanino, Y., et al.
Published: (2010)

The development of ToF-SIMS for in-situ glycosaminoglycan analysis
by: Milne, Lorna
Published: (2025)

The Structure of Glycosaminoglycans and their Interactions with Proteins
by: Gandhi, Neha, et al.
Published: (2008)

Free energy calculations of glycosaminoglycan-protein interactions
by: Gandhi, Neha, et al.
Published: (2009)

A New Method for Estimating the Importance of Hydrophobic Groups in the Binding Site of a Protein
by: Kelly, M., et al.
Published: (2005)

Molecular modelling of platelet endothelial cell adhesion molecule 1 and its interaction with glycosaminoglycans
by: Gandhi, Neha Sureshchandra
Published: (2007)

Developing drugs from sugars: current state of glycosaminoglycan-derived therapeutics
by: Gandhi, Neha, et al.
Published: (2012)

The molecular binding interactions of inhibitors and activators of phosphoenolpyruvate carboxylase
by: Mancera, Ricardo, et al.
Published: (2005)

Use of Computational Methods To Understand The Pattern Of Antimicrobial Resistance
by: Chio, Hok In
Published: (2024)

Molecular docking and molecular dynamic simulation of 1,3-Benzoxazine derivatives against penicillin binding protein 2A of methicillin-resistant Staphlyococcus aureus
by: Alharbi, Nourah Jamaan H
Published: (2023)

Cytotoxicity, antimutagenicity and molecular docking of benzimidazole derivatives as anticancer agents
by: Azahar, Nurul Hafizan
Published: (2021)

Interfering with the CCL2–glycosaminoglycan axis as a potential approach to modulate neuroinflammation
by: Gschwandtner, Martha, et al.
Published: (2016)

Computational analyses of the catalytic and heparin binding sites and their interactions with glycosaminoglycans in glycoside hydrolase family 79 endo-β-D-glucuronidase (heparanase)
by: Gandhi, Neha, et al.
Published: (2012)

Platelet endothelial cell adhesion molecule (PECAM-1) and its interactions with glycosaminoglycans 1. Molecular modelling studies
by: Gandhi, Neha, et al.
Published: (2008)

GPCRs through the keyhole: the role of protein flexibility in ligand binding to β-adrenoceptors
by: Emtage, Abigail L., et al.
Published: (2016)

In-vitro and in-silico selection of DNA-based aptamer towards pork detection using SELEX
by: Mohamad, Nornazliya
Published: (2024)

Molecular dynamics simulation of the phosphorylation-induced conformational changes of a tau peptide fragment
by: Lyons, Albert, et al.
Published: (2014)

Peptide inhibitors of xenoreactive antibodies mimic the interaction profile of the native carbohydrate antigens
by: Agostino, Mark, et al.
Published: (2011)

Identification of novel peroxisome proliferator-activated receptor-gamma (PPAR[gamma]) agonists using molecular modeling method
by: Kumar, Alan Prem
Published: (2014)

Prediction of heparin binding sites in bone morphogenetic proteins (BMPs)
by: Gandhi, Neha, et al.
Published: (2012)

Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors
by: Xu, W., et al.
Published: (2010)

Identification of a sub-micromolar, non-peptide inhibitor of β-secretase with low neural cytotoxicity through in silico screening
by: Xu, W., et al.
Published: (2010)

Classification of the aesthetics formula and generating the screen designs for balance principle
by: Ismail, Nor Anita Fairos
Published: (2002)

Computational Methods for the Prediction of the Structure and Interactions of Coiled-Coil Peptides
by: Gandhi, Neha, et al.
Published: (2008)

Design, synthesis and SAR exploration of tri-substituted 1,2,4-triazoles as inhibitors of the annexin A2–S100A10 protein interaction
by: Reddy, Tummala R.K., et al.
Published: (2014)

Experimental evaluation of interaction design in virtual reality
by: Marshall, Eleanor
Published: (2005)

Platelet endothelial cell adhesion molecule (PECAM-1) and its interactions with glycosaminoglycans 2. Biochemical analyses
by: Coombe, Deidre, et al.
Published: (2008)

Antimicrobials and antimicrobial resistance
by: Smith, Frances
Published: (2017)

Assessment of the protein interaction between coagulation factor XII and corn trypsin inhibitor by molecular docking and biochemical validation
by: Hamad, Badraldin K., et al.
Published: (2017)

Investigating heparan sulphate in development using human pluripotent stem cells
by: Thompson, Jamie
Published: (2022)

An “in the wild” longitudinal cross-site study of networked public displays user communities through situated snapshots
by: Memarovic, Nemanja, et al.
Published: (2016)

A robotic manipulator trajectory monitoring system in virtual environment
by: Hatam Dalef, Huda
Published: (2018)

Challenges and advances in computational docking: 2009 in review
by: Yuriev, E., et al.
Published: (2011)

Critical Gaming: Interactive History and Virtual Heritage
by: Champion, Erik
Published: (2015)

Heparin/heparan sulphate-based drugs
by: Gandhi, Neha, et al.
Published: (2010)

Can current force fields reproduce ring puckering in 2-O-sulfo-?-L-iduronic acid? A molecular dynamics simulation study
by: Gandhi, Neha, et al.
Published: (2010)

Molecular dynamics simulations of CXCL-8 and its interactions with a receptor peptide, heparin fragments and sulfated cyclitols.
by: Gandhi, Neha, et al.
Published: (2011)