Jonathan D Tyzack
Overview
Explore the profile of Jonathan D Tyzack including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
24
Citations
410
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
11.
Tyzack J, Kirchmair J
Chem Biol Drug Des
. 2018 Nov;
93(4):377-386.
PMID: 30471192
In this review, we present important, recent developments in the computational prediction of cytochrome P450 (CYP) metabolism in the context of drug discovery. We discuss in silico models for the...
12.
Tyzack J, Furnham N, Sillitoe I, Orengo C, Thornton J
Methods Mol Biol
. 2018 Oct;
1851:263-275.
PMID: 30298402
The goal of our research is to increase our understanding of how biology works at the molecular level, with a particular focus on how enzymes evolve their functions through adaptations...
13.
Gottardi M, Tyzack J, Bender A, Cedergreen N
Aquat Toxicol
. 2018 Jun;
201:11-20.
PMID: 29859403
Azole fungicides, designed to halt fungal growth by specific inhibition of fungal cytochrome P450 (CYP51), inhibit cytochrome P450s involved in the metabolism of xenobiotics in several non-target organisms thus raising...
14.
Tyzack J, Ribeiro A, Borkakoti N, Thornton J
Bioinformatics
. 2018 May;
34(20):3597-3599.
PMID: 29762650
Motivation: One goal of synthetic biology is to make new enzymes to generate new products, but identifying the starting enzymes for further investigation is often elusive and relies on expert...
15.
Tyzack J, Fernando L, Ribeiro A, Borkakoti N, Thornton J
Structure
. 2018 Mar;
26(4):565-571.e3.
PMID: 29551288
There are numerous applications that use the structures of protein-ligand complexes from the PDB, such as 3D pharmacophore identification, virtual screening, and fragment-based drug design. The structures underlying these applications...
16.
Hunt P, Segall M, Tyzack J
J Comput Aided Mol Des
. 2018 Feb;
32(4):537-546.
PMID: 29464466
In the development of novel pharmaceuticals, the knowledge of how many, and which, Cytochrome P450 isoforms are involved in the phase I metabolism of a compound is important. Potential problems...
17.
Ribeiro A, Holliday G, Furnham N, Tyzack J, Ferris K, Thornton J
Nucleic Acids Res
. 2017 Nov;
46(D1):D618-D623.
PMID: 29106569
M-CSA (Mechanism and Catalytic Site Atlas) is a database of enzyme active sites and reaction mechanisms that can be accessed at www.ebi.ac.uk/thornton-srv/m-csa. Our objectives with M-CSA are to provide an...
18.
Tyzack J, Furnham N, Sillitoe I, Orengo C, Thornton J
Curr Opin Struct Biol
. 2017 Sep;
47:131-139.
PMID: 28892668
In this review, we will explore recent computational approaches to understand enzyme evolution from the perspective of protein structure, dynamics and promiscuity. We will present quantitative methods to measure the...
19.
Tyzack J, Hunt P, Segall M
J Chem Inf Model
. 2016 Oct;
56(11):2180-2193.
PMID: 27753488
We describe methods for predicting cytochrome P450 (CYP) metabolism incorporating both pathway-specific reactivity and isoform-specific accessibility considerations. Semiempirical quantum mechanical (QM) simulations, parametrized using experimental data and ab initio calculations,...
20.
Tyzack J, Glen R
Mol Inform
. 2016 Aug;
33(6-7):443-5.
PMID: 27485980
Most molecules are transformed and transported by specific metabolising enzymes and transporters resulting in changes in their bioactivities, pharmacokinetics and toxicity profiles. This is a key consideration in the design...