Integration of Phenotypic Drug Efficacy and Molecular Chemogenomics Data
GK Kanev - 2024 - research.vu.nl
This thesis thoroughly analyzed the sequence, structure, and molecular interactions of the
two major classes of protein kinases-eukaryotic and atypical. This analysis was intended to …
two major classes of protein kinases-eukaryotic and atypical. This analysis was intended to …
Leveraging diverse data modalities to study kinase inhibitor polypharmacology
C Liu - 2021 - search.proquest.com
Kinases constitute a popular class of drug targets and to date over 60 kinase inhibitors have
been approved for clinical use by the US Food and Drug Administration (FDA). Despite the …
been approved for clinical use by the US Food and Drug Administration (FDA). Despite the …
AiKPro: deep learning model for kinome-wide bioactivity profiling using structure-based sequence alignments and molecular 3D conformer ensemble descriptors
The discovery of selective and potent kinase inhibitors is crucial for the treatment of various
diseases, but the process is challenging due to the high structural similarity among kinases …
diseases, but the process is challenging due to the high structural similarity among kinases …
Chemogenomic analysis of the druggable kinome and its application to repositioning and lead identification studies
Owing to the intrinsic polypharmacological nature of most small-molecule kinase inhibitors,
there is a need for computational models that enable systematic exploration of the …
there is a need for computational models that enable systematic exploration of the …
A broad activity screen in support of a chemogenomic map for kinase signaling research and drug discovery
Since protein kinases play a fundamental role in cell signaling, especially as components of
critical growth and differentiation pathways linked to cancer, kinase inhibitors have been …
critical growth and differentiation pathways linked to cancer, kinase inhibitors have been …
Crowdsourced mapping of unexplored target space of kinase inhibitors
Despite decades of intensive search for compounds that modulate the activity of particular
protein targets, a large proportion of the human kinome remains as yet undrugged. Effective …
protein targets, a large proportion of the human kinome remains as yet undrugged. Effective …
Computational analysis of kinase inhibitors identifies promiscuity cliffs across the human kinome
F Miljković, J Bajorath - ACS Omega, 2018 - ACS Publications
Kinase inhibitors are high-priority drug candidates for a variety of therapeutic applications.
Accordingly, there has been a rapid growth in the number of kinase inhibitors and volumes …
Accordingly, there has been a rapid growth in the number of kinase inhibitors and volumes …
Kinome-wide activity modeling from diverse public high-quality data sets
SC Schürer, SM Muskal - Journal of chemical information and …, 2013 - ACS Publications
Large corpora of kinase small molecule inhibitor data are accessible to public sector
research from thousands of journal article and patent publications. These data have been …
research from thousands of journal article and patent publications. These data have been …
[PDF][PDF] Chemoinformatics-Driven Approaches for Kinase Drug Discovery
F Miljković - 2020 - researchgate.net
Given their importance for the majority of cell physiology processes, protein kinases are
among the most extensively studied protein targets in drug discovery. Inappropriate …
among the most extensively studied protein targets in drug discovery. Inappropriate …
Profiling prediction of kinase inhibitors: toward the virtual assay
Kinome-wide screening would have the advantage of providing structure–activity
relationships against hundreds of targets simultaneously. Here, we report the generation of …
relationships against hundreds of targets simultaneously. Here, we report the generation of …