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Special Issue "Advances in Kinase Drug Discovery 2.0"

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Endocrinology and Metabolism".

Deadline for manuscript submissions: 30 September 2021.

Special Issue Editors

Prof. Dr. Sandra Marmiroli
E-Mail Website
Guest Editor
Department of Biomedical, Metabolic and Neural Sciences, University of Modena and Reggio Emilia, Modena, Italy
Interests: cellular signaling; lipid-activated protein kinases; identification of isoform-specific substrates of the AKT protein kinase; modulation of glycolytic vs oxidative cellular phenotypes by signaling pathways in acute leukemia models; definition of the phosphorylome of primary blast cells from leukemia patients, and its modulation by the PI3K pathway; kinase-inhibitor therapy in hematological malignancies
Special Issues and Collections in MDPI journals
Dr. Manuela Zavatti
E-Mail Website
Guest Editor
Department of Biomedical, Metabolic and Neural Sciences, University of Modena and Reggio Emilia, 41125 Modena, Italy
Interests: signaling pathways in acute leukemia models; kinase-inhibitor therapy in hematological malignancies; animal models in regenerative medicine; application of amniotic fluid stem cells in neurological and osteoarticular diseases

Special Issue Information

Dear Colleagues,

We are delighted to announce a call for submissions to a special issue of the International Journal of Molecular Sciences on the topic of Advances in Kinase Drug Discovery. More than fifty protein kinase inhibitors had been approved for clinical use to 11 December 2019, including seven in 2019, and many more were under clinical investigation (PKI-DB; https://www.icoa.fr/pkidb/index.html). Lipid, nucleotide and small molecule kinases represent equally interesting, if less often exploited therapeutic targets. Recent technological advances ranging from the application of biophysical techniques to ever larger and more complex systems to novel cellular target engagement assays, alongside a more nuanced understanding of resistance mechanisms have enabled exciting progress in this area of drug discovery.

We encourage submission of both original research articles and topical reviews on all aspects of drug discovery targeting the phosphotransferase enzyme family. All submitted articles will undergo peer review.

Prof. Dr. Sandra Marmiroli
Dr. Manuela Zavatti
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • structure-guided drug discovery
  • kinase inhibitor
  • protein kinase
  • lipid kinase
  • nucleotide kinase
  • sugar kinase
  • fragment-based drug discovery
  • allosteric inhibitor
  • ATP-competitive inhibitor
  • anticancer
  • antibacterial
  • antiviral
  • anti-inflammatory

Related Special Issue

Published Papers (1 paper)

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Research

Article
Structural Basis of Inhibition of DCLK1 by Ruxolitinib
Int. J. Mol. Sci. 2021, 22(16), 8488; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms22168488 - 06 Aug 2021
Viewed by 401
Abstract
Given the functional attributes of Doublecortin-like kinase 1 (DCLK1) in tumor growth, invasion, metastasis, cell motility, and tumor stemness, it is emerging as a therapeutic target in gastrointestinal cancers. Although a series of specific or nonspecific ATP-competitive inhibitors were identified against DCLK1, different [...] Read more.
Given the functional attributes of Doublecortin-like kinase 1 (DCLK1) in tumor growth, invasion, metastasis, cell motility, and tumor stemness, it is emerging as a therapeutic target in gastrointestinal cancers. Although a series of specific or nonspecific ATP-competitive inhibitors were identified against DCLK1, different types of scaffolds that can be utilized for the development of highly selective inhibitors or structural understanding of binding specificities of the compounds remain limited. Here, we present our work to repurpose a Janus kinase 1 inhibitor, ruxolitinib as a DCLK1 inhibitor, showing micromolar binding affinity and inhibitory activity. Furthermore, to gain an insight into its interaction mode with DCLK1, a crystal structure of the ruxolitinib-complexed DCLK1 has been determined and analyzed. Ruxolitinib as a nonspecific DCLK1 inhibitor characterized in this work is anticipated to provide a starting point for the structure-guided discovery of selective DCLK1 inhibitors. Full article
(This article belongs to the Special Issue Advances in Kinase Drug Discovery 2.0)
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