Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Nathanael Weill"'
Publikováno v:
Nucleic Acids Research
In eucaryotes, gene expression is regulated by microRNAs (miRNAs) which bind to messenger RNAs (mRNAs) and interfere with their translation into proteins, either by promoting their degradation or inducing their repression. We study the effect of miRN
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2ab311dc3db2ba172ce25d5cb4bf3c8
http://europepmc.org/articles/PMC4538818
http://europepmc.org/articles/PMC4538818
Autor:
Christopher R. Corbeil, Devin Lee, Anna Tomberg, Nathanael Weill, Eric Therrien, Nicolas Moitessier
Publikováno v:
Journal of Chemical Information and Modeling. 54:3198-3210
The use of predictive computational methods in the drug discovery process is in a state of continual growth. Over the last two decades, an increasingly large number of docking tools have been developed to identify hits or optimize lead molecules thro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2bcd3ad84ff220adbd72f223473097e7
https://doi.org/10.1021/ci500299h
https://doi.org/10.1021/ci500299h
Publikováno v:
Current Pharmaceutical Design. 20:3360-3372
A large number of research articles describe novel methodologies of docking and/or scoring methods. An even larger number of publications report the successful use of these methods in the identification of novel hit molecules. What is less documented
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9f5417e8141e63bf77fdc89116a62cc
https://doi.org/10.2174/13816128113199990606
https://doi.org/10.2174/13816128113199990606
Publikováno v:
Current Pharmaceutical Design. 20:3338-3359
Over the last two decades, computationally docking potential protein ligands (e.g., enzyme inhibitors) has become one of the most widely used strategies in computer aided drug design. While these docking methods were developed, some effort focused on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::213d487ecf096dcf4c56d7876648c4ca
https://doi.org/10.2174/13816128113199990605
https://doi.org/10.2174/13816128113199990605
Autor:
Eric Therrien, Christopher R. Corbeil, Valérie Campagna-Slater, Andrew G. Arrowsmith, Nathanael Weill, Rodrigo Mendoza-Sanchez, Pablo Englebienne, Nicolas Moitessier
Publikováno v:
Journal of Chemical Information and Modeling. 52:210-224
As part of a large medicinal chemistry program, we wish to develop novel selective estrogen receptor modulators (SERMs) as potential breast cancer treatments using a combination of experimental and computational approaches. However, one of the remain
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64a97a9304796e58158417289ee586fc
https://doi.org/10.1021/ci2004779
https://doi.org/10.1021/ci2004779
Publikováno v:
Journal of Computational Chemistry. 32:2878-2889
The development and application of ACE, a program that predicts the stereochemical outcome of asymmetric reactions is presented. As major implementations, ACE includes a genetic algorithm to carry out an efficient global conformational search combine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3836af197238ef742729c0ee32745194
https://doi.org/10.1002/jcc.21869
https://doi.org/10.1002/jcc.21869
Autor:
Christel Valencia, Pascal Villa, Didier Rognan, Marcel Hibert, Nathanael Weill, Sophie Gioria
Publikováno v:
Molecular Informatics. 30:521-526
Oxytocin (OT) is a peptide hormone secreted by the pituitary gland that binds to a specific G protein-coupled receptor (OTR) to mediate both peripheral and central actions. It notably induces uterine contraction during labor and stimulates lactation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11bf44762b13dd655bb96c24dffa1e32
https://doi.org/10.1002/minf.201100026
https://doi.org/10.1002/minf.201100026
Autor:
Didier Rognan, Nathanael Weill
Publikováno v:
Journal of Chemical Information and Modeling. 49:1049-1062
The present study introduces a novel low-dimensionality fingerprint encoding both ligand and target properties which is suitable to mine protein-ligand chemogenomic space. Whereas ligand properties have been represented by standard descriptors, prote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57e39692701c37772f0850daab3a5a33
https://doi.org/10.1021/ci800447g
https://doi.org/10.1021/ci800447g
Autor:
Nathanael Weill, Hanadi F. Sleiman, Johans Fakhoury, Anthony Mittermaier, Johanna Mancini, Chantal Autexier, Nicole Avakyan, Katherine Castor, Roxanne E. Kieltyka, Pablo Englebienne, Nicolas Moitessier
Publikováno v:
ChemMedChem. 7(1)
A rationally designed progression of phenanthroimidazole platinum(II) complexes were examined for their ability to target telomere-derived intramolecular G-quadruplex DNA. Through the use of circular dichroism, fluorescence displacement assays, and m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6963ce3f0d42d95fed6e03f47756e6d
https://pubmed.ncbi.nlm.nih.gov/22052801
https://pubmed.ncbi.nlm.nih.gov/22052801
Autor:
Nathanael Weill
Publikováno v:
Current topics in medicinal chemistry. 11(15)
The potential areas of applications of chemogenomic approaches are very large. Thanks to the large amount of knowledge accumulated during years of research, it is now possible to consider the binding of a ligand to a protein in a much larger context.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eabd60593a87b3646d28f56209d9aead
https://pubmed.ncbi.nlm.nih.gov/21470168
https://pubmed.ncbi.nlm.nih.gov/21470168