scholarly journals De Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding Fragments

2013 ◽  
Vol 8 (5) ◽  
pp. 1044-1052 ◽  
Author(s):  
Robert Urich ◽  
Grant Wishart ◽  
Michael Kiczun ◽  
André Richters ◽  
Naomi Tidten-Luksch ◽  
...  
Keyword(s):  
Protein Kinase ◽  
In Silico ◽  
Kinase Inhibitors ◽  
De Novo ◽  
De Novo Design ◽  
Protein Kinase Inhibitors ◽  
Hinge Region ◽  
In Silico Identification

In silico Modeling of Antimalarial Protein Kinase Inhibitors

2015 ◽  
Vol 13 (2) ◽  
pp. 129-134 ◽  
Author(s):  
Rahul Balasaheb Aher ◽  
Kunal Roy
Keyword(s):  
Protein Kinase ◽  
In Silico ◽  
Kinase Inhibitors ◽  
Protein Kinase Inhibitors ◽  
In Silico Modeling

scholarly journals Novel Protein Kinase Induced during Sporangial Cleavage in the Oomycete Phytophthora infestans

2002 ◽  
Vol 1 (5) ◽  
pp. 687-695 ◽  
Author(s):  
Howard S. Judelson ◽  
Samuel Roberts
Keyword(s):  
Protein Kinase ◽  
Phytophthora Infestans ◽  
Protein Kinases ◽  
Kinase Inhibitors ◽  
De Novo ◽  
Protein Kinase Inhibitors ◽  
Kinase Gene ◽  
Mrna Accumulation ◽  
Calmodulin Antagonist ◽  
Zoospore Release

ABSTRACT A study of the effect of inhibitors on zoospore development in Phytophthora infestans demonstrated the involvement of protein kinases and calcium and led to the discovery of a gene induced during zoosporogenesis that encoded a protein resembling Ca+2- and calmodulin-regulated serine/threonine protein kinases. The calcium channel blocker verapamil and the calmodulin antagonist trifluoroperazine inhibited zoosporogenesis and encystment. The protein kinase inhibitors K-252a and KN-93 inhibited zoospore release, encystment, and cyst germination, and K-252a reduced zoospore viability. In contrast, the inhibitors had minor or no effects on sporangia directly germinating in media. Spurred by these findings, a survey of putative protein kinase genes was performed to identify any that were up-regulated during zoosporogenesis. A kinase-encoding gene was identified for which mRNA accumulation was first detected soon after chilling sporangia in water, conditions that induce sporangial cytoplasm to cleave and release zoospores. The transcript persisted in motile zoospores and in germinated cysts but was not detected in other tissues, including hyphae, hyphae placed in water, or directly germinating sporangia. The structure of the predicted protein was novel, as its C-terminal region, which binds calmodulin in related proteins, was unusually short. Concentrations of actinomycin D previously used in experiments that suggested that de novo transcription was not needed for zoosporogenesis or encystment only partially inhibited transcription of the kinase gene, probably due to poor uptake into sporangia.

Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors

2011 ◽  
Vol 25 (6) ◽  
pp. 569-581 ◽  
Author(s):  
Daniel Mucs ◽  
Richard A. Bryce ◽  
Pascal Bonnet
Keyword(s):  
Protein Kinase ◽  
In Silico ◽  
Kinase Inhibitors ◽  
Protein Kinase Inhibitors ◽  
Type Ii

In Silico Design of Protein Kinase Inhibitors: Successes and Failures

2007 ◽  
Vol 7 (2) ◽  
pp. 171-188 ◽  
Author(s):  
Galina Dubinina ◽  
Oleksandr Chupryna ◽  
Maxim Platonov ◽  
Petro Borisko ◽  
Galina Ostrovska ◽  
...  
Keyword(s):  
Protein Kinase ◽  
In Silico ◽  
Kinase Inhibitors ◽  
Protein Kinase Inhibitors ◽  
In Silico Design ◽  
Successes And Failures

Towards the de novo design of DNA based catalytic sites using a combined NMR and in silico approach

2014 ◽  
Author(s):  
Dieter Buyst ◽  
V. Gheerardijn ◽  
J. Van Den Begin ◽  
A. Madder ◽  
J. C. Martins
Keyword(s):  
In Silico ◽  
De Novo ◽  
De Novo Design ◽  
Catalytic Sites

scholarly journals Thiazolidine-diones. Biochemical and biological activity of a novel class of tyrosine protein kinase inhibitors.

1990 ◽  
Vol 265 (36) ◽  
pp. 22255-22261
Author(s):  
J F Geissler ◽  
P Traxler ◽  
U Regenass ◽  
B J Murray ◽  
J L Roesel ◽  
...  
Keyword(s):  
Biological Activity ◽  
Protein Kinase ◽  
Kinase Inhibitors ◽  
Protein Kinase Inhibitors ◽  
Tyrosine Protein Kinase

Protein kinase inhibitors for the treatment of prostate cancer

2021 ◽  
pp. 1-11
Author(s):  
Vincent Chau ◽  
Ravi A. Madan ◽  
Jeanny B. Aragon-Ching
Keyword(s):  
Prostate Cancer ◽  
Protein Kinase ◽  
Kinase Inhibitors ◽  
Protein Kinase Inhibitors

Astrocyte morphology altered by 1-(5-isoquinolinylsulfonyl) 2-methyl piperazine (H-7) and other protein kinase inhibitors

1989 ◽  
Vol 490 (2) ◽  
pp. 243-254 ◽  
Author(s):  
Cynthia A. Bedoy ◽  
Philip L. Mobley
Keyword(s):  
Protein Kinase ◽  
Kinase Inhibitors ◽  
Protein Kinase Inhibitors

Molecular hybrids: A five-year survey on structures of multiple targeted hybrids of protein kinase inhibitors for cancer therapy

2021 ◽  
pp. 113768
Author(s):  
Osama M. Soltan ◽  
Mai E. Shoman ◽  
Salah A. Abdel-Aziz ◽  
Atsushi Narumi ◽  
Hiroyuki Konno ◽  
...  
Keyword(s):  
Protein Kinase ◽  
Cancer Therapy ◽  
Kinase Inhibitors ◽  
Protein Kinase Inhibitors ◽  
Molecular Hybrids
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