A5033439117- Collagen: Extraction and Characterization
- Advanced Glycation End Products research
- Protein Structure and Dynamics
- Enzyme Structure and Function
- Protease and Inhibitor Mechanisms
- RNA and protein synthesis mechanisms
- Orthopaedic implants and arthroplasty
- Plant Parasitism and Resistance
- Porphyrin and Phthalocyanine Chemistry
- dental development and anomalies
- Natural Antidiabetic Agents Studies
- Protein Hydrolysis and Bioactive Peptides
- Plant Molecular Biology Research
- Tribology and Lubrication Engineering
- Plant and animal studies
- Supramolecular Chemistry and Complexes
- Bone health and osteoporosis research
- Alzheimer's disease research and treatments
- Connective tissue disorders research
- Enzyme Production and Characterization
Massey University
2017-2021
Maurice Wilkins Centre
2019
University of Auckland
2019
University College London
2015-2016
Non-enzymatic advanced glycation end product (AGE) cross-linking of collagen molecules has been hypothesised to result in significant changes the mechanical properties connective tissues within body, potentially resulting a number age related diseases. We have investigated effect two these cross-links, glucosepane and DOGDIC, on tensile lateral moduli molecule through use steered molecular dynamics approach, using previously identified preferential formation sites for intra-molecular...
The extracellular matrix (ECM) undergoes progressive age-related stiffening and loss of proteolytic digestibility due to an increase in concentration advanced glycation end products (AGEs). most abundant AGE, glucosepane, accumulates collagen with concentrations over 100 times greater than all other AGEs. Detrimental properties are believed play a significant role several diseases such as osteoporosis cardiovascular disease. Currently little is known the potential location covalently...
Covalently cross-linked advanced glycation end products (AGE) are among the major post-translational modifications to proteins as a result of non-enzymatic glycation. The formation AGEs has been shown have adverse effects on properties collagenous tissue; they even linked number age related disorders. Little is known about sites at which these form or why certain within collagen energetically more favourable than others. In this study we used proven fully atomistic molecular dynamics...
A large number of crystallographic protein structures include ligands, small molecules and post-translational modifications. Atomic bond force values for computational atomistic models or non-standard amino acids, metal binding active sites, drug are not readily available in most simulation software packages. We present ForceGen, a Java tool that extracts the stretch angle equilibrium from Hessian Gaussian vibrational frequency analysis. The parameters compatible with fields derived using...
Type I collagen is an essential extracellular protein that plays important structural role in tissues require high tensile strength. However, owing to the molecule's size, date no experimental data are available for Homo sapiens species. Therefore, there a real need develop reliable homology model and method study packing of molecules within fibril. Through use implementation novel simulation technique, we have ascertained orientations fibril, which currently below resolution limit...
Cyclodextrins have a diverse range of applications, including as supramolecular hosts, enzyme active-site analogs, in improving drug solubility and delivery, molecular selection. We investigated their ability to form stable complexes with bullvalenes, unusual organic cage molecules that spontaneously interconvert between numerous degenerate isomers. The shape-shifting nature substituted bullvalenes raises the potential for dynamic adaptive binding biological targets. tested whether β-...
Event Abstract Back to Identification of preferential sites for intra-molecular lysine-arginine derived advanced glycation end products formation in fibrillar type I collagen and their effect on the function collagenous tissues: an all atom molecular dynamics approach Thomas Collier1, Anthony Nash1, Laurent Bozec2, Helen L. Birch3 Nora H. De Leeuw1, 4 1 University College London, Department Chemistry, United Kingdom 2 Eastman Dental Institute, 3 Institute Orthopaedics Musculoskeletal...