Výsledky vyhledávání - "Peter D J, Grootenhuis"

Akademický článek

Lead-Discovery of bis-Aromatic Alkynes: A Novel Class of Herbicides

Publikováno v: CHIMIA, Vol 62, Iss 1-2 (2008)

The search for new active molecules with novel modes of action and desirable physical properties is an ongoing endeavour. This publication describes the follow-up chemistry of a biological hit discovered in the screening system of Novartis Crop Prote

Externí odkaz: https://doaj.org/article/5c120d9f6ae7458abd6d1d641fce6442

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Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations

Autor: Jan N. M. Commandeur, Daan P. Geerke, Flemming Jørgensen, Ernst ter Haar, Arun K. Mohanty, Lars Olsen, Luigi Capoferri, Rasmus Leth, Peter D. J. Grootenhuis, Eduardo Vottero, Nico P. E. Vermeulen

Publikováno v: Proteins: Structure, Function, and Bioinformatics. 84:383-396

Cytochrome P450 BM3 (CYP102A1) mutant M11 is able to metabolize a wide range of drugs and drug-like compounds. Among these, M11 was recently found to be able to catalyze formation of human metabolites of mefenamic acid and other nonsteroidal anti-inf

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0327eadf855d73f43bf5c18993f8c2ed
https://doi.org/10.1002/prot.24985

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Efficient Screening of Cytochrome P450 BM3 Mutants for Their Metabolic Activity and Diversity toward a Wide Set of Drug-Like Molecules in Chemical Space

Autor: John Saunders, Jan N. M. Commandeur, Peter D. J. Grootenhuis, Nico P. E. Vermeulen, Jelle Reinen, Caroline Decker, Yongmin Li, Jolanda van Leeuwen, Lifang Sun

Publikováno v: Drug Metabolism and Disposition. 39:1568-1576

In the present study, the diversity of a library of drug-metabolizing bacterial cytochrome P450 (P450) BM3 mutants was evaluated by a liquid chromatography-mass spectrometry (LC-MS)-based screening method. A strategy was designed to identify a minima

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0984d93607f7640bd35fa142122525a
https://doi.org/10.1124/dmd.111.039461

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Homology model-building studies of human thrombin: Optimisation of modelling protocol and comparison with X-ray structure

Autor: Peter D. J. Grootenhuis, Luc M. H. Koymans, C. A. G. Haasnoot

Publikováno v: Recueil des Travaux Chimiques des Pays-Bas. 112:161-168

The present paper evaluates the effect of several parameters on the accuracy of homology model-built structures of human thrombin. In order to appraise the merits of such a homology model-building study as a practical basis for direct drug-design pur

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::303052a4a8bee55a552bac45f48eca44
https://doi.org/10.1002/recl.19931120214

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Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations

Autor: Luigi, Capoferri, Rasmus, Leth, Ernst, ter Haar, Arun K, Mohanty, Peter D J, Grootenhuis, Eduardo, Vottero, Jan N M, Commandeur, Nico P E, Vermeulen, Flemming Steen, Jørgensen, Lars, Olsen, Daan P, Geerke

Publikováno v: Proteins. 84(3)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::7b35a65c2db683bdce86441f2f40966f
https://pubmed.ncbi.nlm.nih.gov/26757175

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Rescue of ΔF508-CFTR trafficking and gating in human cystic fibrosis airway primary cultures by small molecules

Autor: Tom Knapp, Victor Panchenko, Paul A. Negulescu, Ashvani K. Singh, Roger D. Tung, James A. Rader, Timothy Neuberger, Fredrick Van Goor, Kimberly Straley, Jeffrey H. Stack, Jesus E. Gonzalez, Eric R. Olson, John Joubran, Dong Cao, Mark Miller, Peter D. J. Grootenhuis, Sabine Hadida, Anna R. Hazlewood, Lewis R. Makings

Publikováno v: American Journal of Physiology-Lung Cellular and Molecular Physiology. 290:L1117-L1130

Cystic fibrosis (CF) is a fatal genetic disease caused by mutations in cftr, a gene encoding a PKA-regulated Cl−channel. The most common mutation results in a deletion of phenylalanine at position 508 (ΔF508-CFTR) that impairs protein folding, tra

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fbd5a9130d1b6a77b6165a012ea7fa0
https://doi.org/10.1152/ajplung.00169.2005

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In silico prediction of drug safety: despite progress there is abundant room for improvement

Autor: Peter D. J. Grootenhuis, Gregor Zlokarnik, William J. Egan

Publikováno v: Drug Discovery Today: Technologies. 1:381-387

Predictive models for drug safety are crucial for helping to avoid costly late-stage failures. We review recent work on models for genotoxicity, liver toxicity, CYP450 inhibition and cardiotoxicity. These models have improved somewhat in recent years

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::062622488445d5d77e7f9140b1a2ef99
https://doi.org/10.1016/j.ddtec.2004.11.002

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Performance of 3D-database molecular docking studies into homology models

Autor: John Eksterowicz, Peter D. J. Grootenhuis, C. Oshiro, J.K. Lanctot, Erik Evensen, Michelle Lamb, Robert V. Stanton, Erin K. Bradley, Santosh Putta

Publikováno v: Oshiro, C, Bradley, E K, Eksterowicz, J E, Evensen, E, Lamb, M L, Lanctot, J K, Putta, S, Stanton, R V & Grootenhuis, P D J 2004, ' Performance of 3D-database molecular docking studies into homology models ', Journal of Medicinal Chemistry, vol. 47, no. 3, pp. 764-7 . https://doi.org/10.1021/jm0300781
Journal of Medicinal Chemistry, 47(3), 764-7. American Chemical Society

The performance of docking studies into protein active sites constructed by homology model building was investigated using CDK2 and factor VIIa screening data sets. When the sequence identity between model and template near the binding site area is g

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6b84f205cf7cb26dfdf85a6ea393e7b
https://research.vu.nl/en/publications/c7c64886-4fd6-46b9-8ab1-e38793da8947

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Design of a gene family screening library targeting G-protein coupled receptors

Autor: Angelo J. Castellino, Peter D. J. Grootenhuis, Bondy Steven Scott, Mark J. Suto, Erin K. Bradley, Graham Beaton, Paul A. Gibbons, Michelle Lamb

Publikováno v: Journal of Molecular Graphics and Modelling, 23(1), 15-21. Elsevier Inc.
Lamb, M L, Bradley, E K, Beaton, G, Bondy, S S, Castellino, A J, Gibbons, P A, Suto, M J & Grootenhuis, P D J 2004, ' Design of a gene family screening library targeting G-protein coupled receptors ', Journal of Molecular Graphics and Modelling, vol. 23, no. 1, pp. 15-21 . https://doi.org/10.1016/j.jmgm.2004.03.001

An iterative process for the design of a G-protein coupled receptor (GPCR) gene family screening library has been developed. A key element of this process is the computational generation of pharmacophore descriptors of known GPCR ligands. Subsequent

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5225afea9d1502b3e9f54452a380c295
https://research.vu.nl/en/publications/b595c063-9493-431d-bcb0-c7fa0956bef7

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