Exploring the Anti-Hypoxaemia Effect of Hydromethylthionine: A Prospective Study of Phase 3 Clinical Trial Participants

Autor: Mohammad Arastoo, Michael P. Mazanetz, Sonya Miller, Helen Shiells, Claire Hull, Keith Robinson, John M. D. Storey, Charles R. Harrington, Claude M. Wischik

Publikováno v: International Journal of Molecular Sciences, Vol 24, Iss 18, p 13747 (2023)

Methylthioninium chloride (MTC) is a standard treatment for methaemoglobinaemia. A preparation of reduced MTC has been reported to increase blood oxygen saturation (SpO2) and lower respiratory rates in patients with severe COVID-19. We have developed

Externí odkaz: https://doaj.org/article/df9df7c6b5b1455c99ae12ce7f3e9e71

Ligand- and Structure-Based Drug Design and Optimization using KNIME

Autor: Ewa I. Chudyk, Michael P. Mazanetz, Charlotte H F Goode

Publikováno v: Current Medicinal Chemistry. 27:6458-6479

In recent years there has been a paradigm shift in how data is being used to progress early drug discovery campaigns from hit identification to candidate selection. Significant developments in data mining methods and the accessibility of tools for re

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25c078a79f2dd982bf7b214e47ddcb2f
https://doi.org/10.2174/0929867326666190409141016

Investigation of the Flexibility of Protein Kinases Implicated in the Pathology of Alzheimer’s Disease

Autor: Charles A. Laughton, Michael P. Mazanetz, Peter Fischer

Publikováno v: Molecules, Vol 19, Iss 7, Pp 9134-9159 (2014)
Molecules
Molecules; Volume 19; Issue 7; Pages: 9134-9159

The pathological characteristics of Alzheimer’s Disease (AD) have been linked to the activity of three particular kinases—Glycogen Synthase Kinase 3β (GSK3β), Cyclin-Dependent Kinase 5 (CDK5) and Extracellular-signal Regulated Kinase 2 (ERK2).

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eec7ab89fd0398edacd17e0f1bab1f1d
http://www.mdpi.com/1420-3049/19/7/9134

Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory

Autor: Julien Michel, Michael P. Mazanetz, Michelle Southey, Georgios Gerogiokas, Richard H. Henchman, Alexander Heifetz, Michael J. Bodkin, Richard J. Law

Publikováno v: Gerogiokas, G, Southey, M W Y, Mazanetz, M P, Heifetz, A, Bodkin, M, Law, R J, Henchman, R H & Michel, J 2016, ' Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory ', Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry) . https://doi.org/10.1021/acs.jpcb.6b07993
Gerogiokas, G, Southey, M W Y, Mazanetz, M P, Heifetz, A, Bodkin, M, Law, R J, Henchman, R H & Michel, J 2016, ' Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory ', Journal of Physical Chemistry B, vol. 120, no. 40, pp. 10442-10452 . https://doi.org/10.1021/acs.jpcb.6b07993

Molecular dynamics simulations have been analyzed with the Grid Cell Theory (GCT) method to spatially resolve the binding enthalpies and entropies of water molecules at the interface of 17 structurally diverse proteins. Correlations between computed

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6779a77fb243fde9b24657f322433a52
https://www.pure.ed.ac.uk/ws/files/28060020/Gerogiokas_GCTproteins_JPCB_2016_OA.pdf

Using Electrophysiology and In Silico Three-Dimensional Modeling to Reduce Human Ether-à-go-go Related Gene K+ Channel Inhibition in a Histamine H3 Receptor Antagonist Program

Autor: Alexander Heifetz, Mark J. Gemkow, Michael P. Mazanetz, Richard J. Law, Clemens Möller, Andreas Ebneth, Adam James Davenport

Publikováno v: ASSAY and Drug Development Technologies. 8:781-789

The histamine H3 receptor (H3R) plays a regulatory role in the presynaptic release of histamine and several other neurotransmitters, and thus, it is an attractive target for central nervous system indications including cognitive disorders, narcolepsy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6909e1bceaad34b6d9bf166428dcdd8
https://doi.org/10.1089/adt.2010.0322