Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery
MC Johnson, Q Hu, L Lingardo, RA Ferre… - Journal of computer …, 2011 - Springer
Abstract Phosphoinositide-dependent kinase-1 (PDK1) is a critical enzyme in the PI3K/AKT
pathway and to the activation of AGC family protein kinases, including S6K, SGK, and PKC …
pathway and to the activation of AGC family protein kinases, including S6K, SGK, and PKC …
Fragment-based design, synthesis, biological evaluation, and SAR of 1H-benzo [d] imidazol-2-yl)-1H-indazol derivatives as potent PDK1 inhibitors
In this work, we describe the use of the rule of 3 fragment-based strategies from biochemical
screening data of 1100 in-house, small, low molecular weight fragments. The sequential …
screening data of 1100 in-house, small, low molecular weight fragments. The sequential …
Aminoindazole PDK1 inhibitors: a case study in fragment-based drug discovery
JR Medina, CW Blackledge, DA Heerding… - ACS medicinal …, 2010 - ACS Publications
Fragment screening of phosphoinositide-dependent kinase-1 (PDK1) in a biochemical
kinase assay afforded hits that were characterized and prioritized based on ligand efficiency …
kinase assay afforded hits that were characterized and prioritized based on ligand efficiency …
Efficient identification of novel leads by dynamic focused screening: PDK1 case study
D Sun, J Jung, TS Rush III, Z Xu… - … Chemistry & High …, 2010 - ingentaconnect.com
A dynamic, focused screening strategy that utilized a limited but diversified set of target-
specific compounds was explored as an efficient means for the identification of inhibitors of …
specific compounds was explored as an efficient means for the identification of inhibitors of …
New inhibitor of 3-phosphoinositide dependent protein kinase-1 identified from virtual screening
W Yang, MDM AbdulHameed, A Hamza… - Bioorganic & medicinal …, 2012 - Elsevier
3-Phosphoinositide-dependent protein kinase-1 (PDK1) has been recognized as a
promising anticancer target. Thus, it is interesting to identify new inhibitors of PDK1 for …
promising anticancer target. Thus, it is interesting to identify new inhibitors of PDK1 for …
Structure-based optimization of potent PDK1 inhibitors
M Angiolini, P Banfi, E Casale, F Casuscelli… - Bioorganic & medicinal …, 2010 - Elsevier
In this Letter is described the structure-based design of potent dihydro-pyrazoloquinazolines
as PDK1 inhibitors. Starting from low potency HTS hits with the aid of X-ray crystallography …
as PDK1 inhibitors. Starting from low potency HTS hits with the aid of X-ray crystallography …
Structure-based design of potent and selective 3-phosphoinositide-dependent kinase-1 (PDK1) inhibitors
JR Medina, CJ Becker, CW Blackledge… - Journal of medicinal …, 2011 - ACS Publications
Phosphoinositide-dependent protein kinase-1 (PDK1) is a master regulator of the AGC
family of kinases and an integral component of the PI3K/AKT/mTOR pathway. As this …
family of kinases and an integral component of the PI3K/AKT/mTOR pathway. As this …
Identification of novel pyruvate dehydrogenase kinase 1 (PDK1) inhibitors by kinase activity-based high-throughput screening for anticancer therapeutics
W Zhang, X Hu, H Chakravarty, Z Yang… - ACS combinatorial …, 2018 - ACS Publications
Warburg effect, a preference of aerobic glycolysis for energy production even in the
presence of adequate oxygen, is one of the most prominent distinctions of cancer cells from …
presence of adequate oxygen, is one of the most prominent distinctions of cancer cells from …
Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery
DA Erlanson, JW Arndt, MT Cancilla, K Cao… - Bioorganic & medicinal …, 2011 - Elsevier
We report the use of a fragment-based lead discovery method, Tethering with extenders, to
discover a pyridinone fragment that binds in an adaptive site of the protein PDK1. With …
discover a pyridinone fragment that binds in an adaptive site of the protein PDK1. With …
Thieno [3, 2-d] pyrimidin-4 (3H)-one derivatives as PDK1 inhibitors discovered by fragment-based screening
ACH Lee, PM Ramanujulu, A Poulsen… - Bioorganic & medicinal …, 2012 - Elsevier
Ligand efficient fragments binding to PDK1 were identified by an NMR fragment-based
screening approach. Computational modeling of the fragments bound to the active site led to …
screening approach. Computational modeling of the fragments bound to the active site led to …