Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Oliver Laufkötter"'
Publikováno v:
Molecules, Vol 28, Iss 15, p 5805 (2023)
In drug discovery, protein kinase inhibitors (PKIs) are intensely investigated as drug candidates in different therapeutic areas. While ATP site-directed, non-covalent PKIs have long been a focal point in protein kinase (PK) drug discovery, in recent
Externí odkaz:
https://doaj.org/article/fb5b436b195347fb96031d7bec164b22
Publikováno v:
ACS Omega, Vol 4, Iss 12, Pp 15304-15311 (2019)
Externí odkaz:
https://doaj.org/article/734ec7b8e3a4419f93faf1f42d3711fd
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-14 (2019)
Abstract This study aims at improving upon existing activity predictions methods by augmenting chemical structure fingerprints with bio-activity based fingerprints derived from high-throughput screening (HTS) data (HTSFPs) and thereby showcasing the
Externí odkaz:
https://doaj.org/article/f6952732ab6b4d9c8851248ff8ad6ff5
Publikováno v:
Data in Brief, Vol 35, Iss , Pp 106816- (2021)
A data set was generated comprising currently available competitive and allosteric human protein kinase inhibitors confirmed by X-ray crystallography. This data set has been used to systematically explore structural relationships between these types
Externí odkaz:
https://doaj.org/article/7fbb2cc8ddef472280970d1e5700fbef
Publikováno v:
Data in Brief, Vol 32, Iss , Pp 106189- (2020)
A large set of multi-kinase inhibitors with high-confidence activity data was assembled and used to generate network representations revealing kinase relationships based upon shared inhibitors [1]. Compounds and activity annotations were originally s
Externí odkaz:
https://doaj.org/article/fb1f11c6e8c74077928e679992d79993
Publikováno v:
Journal of Medicinal Chemistry. 65:922-934
Allosteric kinase inhibitors are thought to have high selectivity and are prime candidates for kinase drug discovery. In addition, the exploration of allosteric mechanisms represents an attractive topic for basic research and drug design. Although th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe7ef5e3818014e7b89b3638b34eb48c
https://doi.org/10.1021/acs.jmedchem.0c02076
https://doi.org/10.1021/acs.jmedchem.0c02076
Publikováno v:
ACS Omega
ACS Omega, Vol 4, Iss 12, Pp 15304-15311 (2019)
ACS Omega, Vol 4, Iss 12, Pp 15304-15311 (2019)
Similarity searching (SS) is a core approach in computational compound screening and has a long tradition in pharmaceutical research. Over the years, different approaches have been introduced to increase the information content of search calculations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::478e773159d0a1e743d4b0722a183aef
https://doi.org/10.1021/acsomega.9b02470
https://doi.org/10.1021/acsomega.9b02470
Publikováno v:
European journal of medicinal chemistry. 204
We have investigated the question if kinases could be identified whose compound binding characteristics represent those of many other kinases. Therefore, compound-based relationships between kinases were systematically explored on the basis of a larg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87c4e6e42efcb2543d550bea0cc31511
https://pubmed.ncbi.nlm.nih.gov/32745818
https://pubmed.ncbi.nlm.nih.gov/32745818
Publikováno v:
European Journal of Medicinal Chemistry. 214:113206
Allosteric and ATP-competitive kinase inhibitors act by distinct mechanisms and are expected to have high and low kinase selectivity, respectively. This also raises the question whether or not these different types of inhibitors might be structurally
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::276fc84ddcab49e86f811444d9aaa1cf
https://doi.org/10.1016/j.ejmech.2021.113206
https://doi.org/10.1016/j.ejmech.2021.113206