List of works - Kevin N Dalby

193 nm Ultraviolet Photodissociation Mass Spectrometry for Phosphopeptide Characterization in the Positive and Negative Ion Modes

scientific article published on 18 July 2016

193‐nm photodissociation of singly and multiply charged peptide anions for acidic proteome characterization ⬇️

scientific article published on February 17, 2011

A 'light-up' intercalator displacement assay for detection of triplex DNA stabilizers

scientific article published on 01 February 2020

A Fluorescence-Based High-Throughput Assay for the Identification of Anticancer Reagents Targeting Fructose-1,6-Bisphosphate Aldolase

scientific article published on 18 August 2017

A Model of a MAPK•Substrate Complex in an Active Conformation: A Computational and Experimental Approach ⬇️

scientific article published on April 11, 2011

A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation

scientific article published on 13 May 2019

A c-Jun N-terminal kinase inhibitor, JNK-IN-8, sensitizes triple negative breast cancer cells to lapatinib.

scientific article

A scalable lysyl hydroxylase 2 expression system and luciferase-based enzymatic activity assay.

scientific article

A tunable assay for modulators of genome-destabilizing DNA structures

scientific article published on 01 July 2019

Activated ERK2 Is a Monomer in Vitro with or without Divalent Cations and When Complexed to the Cytoplasmic Scaffold PEA-15 ⬇️

scientific article published on May 4, 2011

Application of Eukaryotic Elongation Factor-2 Kinase (eEF-2K) for Cancer Therapy: Expression, Purification, and High-Throughput Inhibitor Screening.

scientific article published in January 2016

Arrestin-3 binds c-Jun N-terminal kinase 1 (JNK1) and JNK2 and facilitates the activation of these ubiquitous JNK isoforms in cells via scaffolding

scientific article

Arrestin-3 interaction with maternal embryonic leucine-zipper kinase

scientific article published on 25 July 2019

Arrestin-3 scaffolding of the JNK3 cascade suggests a mechanism for signal amplification

scientific article published on 27 December 2018

Arrestin-3-Dependent Activation of c-Jun N-Terminal Kinases (JNKs).

scientific article published on 2 March 2015

Assignment of Backbone Resonances in a Eukaryotic Protein Kinase – ERK2 as a Representative Example ⬇️

scientific article published on January 1, 2012

Author Correction: Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.

scientific article published on 10 July 2018

Charge‐Site‐Dependent Dissociation of Hydrogen‐Rich Radical Peptide Cations upon Vacuum UV Photoexcitation ⬇️

scientific article published on March 16, 2012

Computational Insights for the Discovery of Non-ATP Competitive Inhibitors of MAP Kinases ⬇️

scientific article published on January 1, 2012

Computational and Experimental Studies of Inhibitor Design for Aldolase A

scientific article published on 03 July 2019

Computational insights into the binding of IN17 inhibitors to MELK

scientific article published on 08 May 2019

Construction of human activity-based phosphorylation networks.

scientific article

Definition of a Novel Feed-Forward Mechanism for Glycolysis-HIF1α Signaling in Hypoxic Tumors Highlights Aldolase A as a Therapeutic Target

scientific article published on 03 June 2016

Design, synthesis and biological evaluation of fused naphthofuro[3,2-c] quinoline-6,7,12-triones and pyrano[3,2-c]quinoline-6,7,8,13-tetraones derivatives as ERK inhibitors with efficacy in BRAF-mutant melanoma

scientific article published on 23 October 2018

Design, synthesis, and DNA interaction studies of furo-imidazo[3.3.3]propellane derivatives: Potential anticancer agents

scientific article published on 13 February 2019

Developing Colorimetric and Luminescence-Based High-Throughput Screening Platforms for Monitoring the GTPase Activity of Ferrous Iron Transport Protein B (FeoB)

scientific article published on 30 April 2019

Development of a High-Throughput Lysyl Hydroxylase (LH) Assay and Identification of Small-Molecule Inhibitors against LH2

scientific article published on 27 December 2018

Development of a cost effective and robust AlphaScreen® platform for application.

scientific article published in April 2018

Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth

scientific article

Docking interactions of hematopoietic tyrosine phosphatase with MAP kinases ERK2 and p38α.

scientific article published on 5 October 2012

Droplet-based screening of phosphate transfer catalysis reveals how epistasis shapes MAP kinase interactions with substrates

scientific article published on 11 February 2022

Elucidating binding modes of zuonin A enantiomers to JNK1 via in silico methods

scientific article published on 16 August 2013

Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution.

scientific article published on 11 June 2018

Examining Docking Interactions on ERK2 with Modular Peptide Substrates ⬇️

scientific article published on October 18, 2011

From in Silico Discovery to intra-Cellular Activity: Targeting JNK-Protein Interactions with Small Molecules ⬇️

scientific article published on August 6, 2012

Guidelines for the use and interpretation of assays for monitoring autophagy (3rd edition)

scientific article

Identification and validation of novel PERK inhibitors

scientific article

Identification of Regulatory Phosphorylation Sites in Mitogen-activated Protein Kinase (MAPK)-activated Protein Kinase-1a/p90 That Are Inducible by MAPK ⬇️

scientific article published on January 16, 1998

In-situ generation of differential sensors that fingerprint kinases and the cellular response to their expression

scientific article

JNK Signaling in Stem Cell Self-Renewal and Differentiation

scientific article published on 09 April 2020

JNK2 Is Required for the Tumorigenic Properties of Melanoma Cells

scientific article published on 17 May 2019

Local destabilization, rigid body, and fuzzy docking facilitate the phosphorylation of the transcription factor Ets-1 by the mitogen-activated protein kinase ERK2.

scientific article

Longitudinal tracking of subpopulation dynamics and molecular changes during LNCaP cell castration and identification of inhibitors that could target the PSA-/lo castration-resistant cells.

scientific article published on 10 February 2016

MELK: a potential novel therapeutic target for TNBC and other aggressive malignancies.

scientific article

Mechanistic Studies on Covalent Assemblies of Metal-Mediated Hemi-Aminal Ethers.

scientific article

Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force field

scientific article

Modulating multi-functional ERK complexes by covalent targeting of a recruitment site in vivo

scientific article published on 19 November 2019

NO-releasing STAT3 inhibitors suppress BRAF-mutant melanoma growth

scientific article published on 14 November 2019

Novel quinoline incorporating 1,2,4-triazole/oxime hybrids: Synthesis, molecular docking, anti-inflammatory, COX inhibition, ulceroginicity and histopathological investigations

scientific article published on 30 September 2017

Optimization of a Luminescence-Based High-Throughput Screening Assay for Detecting Apyrase Activity

scientific article published on 10 November 2016

Overexpression of GRK6 rescues L-DOPA-induced signaling abnormalities in the dopamine-depleted striatum of hemiparkinsonian rats.

scientific article

Peptide mini-scaffold facilitates JNK3 activation in cells

scientific article published on 12 February 2016

Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.

scientific article

Quantification of ERK Kinase Activity in Biological Samples Using Differential Sensing

scientific article published on 16 December 2019

Quantification of a Pharmacodynamic ERK End Point in Melanoma Cell Lysates: Toward Personalized Precision Medicine.

scientific article published on 17 October 2014

Serotonin Analogues as Inhibitors of Breast Cancer Cell Growth

scientific article

Signal Integration at Elongation Factor 2 Kinase: THE ROLES OF CALCIUM, CALMODULIN, AND SER-500 PHOSPHORYLATION.

scientific article published on 12 December 2016

Solution Structure of the Carboxy-Terminal Tandem Repeat Domain of Eukaryotic Elongation Factor 2 Kinase and Its Role in Substrate Recognition

scientific article published on 18 May 2019

Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin

scientific article published on 3 August 2016

Structural Dynamics of the Activation of Elongation Factor 2 Kinase by Ca2+-Calmodulin.

scientific article

Structure of the C-Terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase

scientific article

Synthesis and biological evaluation of pyrido[2,3-d]pyrimidine-2,4-dione derivatives as eEF-2K inhibitors.

scientific article

Targeting ERK beyond the boundaries of the kinase active site in melanoma

scientific article published on 12 June 2019

The molecular mechanism of eukaryotic elongation factor 2 kinase activation

scientific article (publication date: 22 August 2014)

The role of calcium in the interaction between calmodulin and a minimal functional construct of eukaryotic elongation factor 2 kinase

scientific article published on 01 December 2019

Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.

scientific article published on 10 June 2017

Two Rate-Limiting Steps in the Kinetic Mechanism of the Serine/Threonine Specific Protein Kinase ERK2: A Case of Fast Phosphorylation Followed by Fast Product Release ⬇️

scientific article published on October 28, 2003

Understanding the Specificity of a Docking Interaction between JNK1 and the Scaffolding Protein JIP1 ⬇️

scientific article published on January 25, 2011

Using docking and alchemical free energy approach to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis

scientific article published on 19 March 2015

c-Jun N-terminal kinase promotes stem cell phenotype in triple-negative breast cancer through upregulation of Notch1 via activation of c-Jun

scientific article published on 12 December 2016

List of works by Kevin N Dalby

193 nm Ultraviolet Photodissociation Mass Spectrometry for Phosphopeptide Characterization in the Positive and Negative Ion Modes

193‐nm photodissociation of singly and multiply charged peptide anions for acidic proteome characterization ⬇️

A 'light-up' intercalator displacement assay for detection of triplex DNA stabilizers

A Fluorescence-Based High-Throughput Assay for the Identification of Anticancer Reagents Targeting Fructose-1,6-Bisphosphate Aldolase

A Model of a MAPK•Substrate Complex in an Active Conformation: A Computational and Experimental Approach ⬇️

A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation

A c-Jun N-terminal kinase inhibitor, JNK-IN-8, sensitizes triple negative breast cancer cells to lapatinib.

A scalable lysyl hydroxylase 2 expression system and luciferase-based enzymatic activity assay.

A tunable assay for modulators of genome-destabilizing DNA structures

Activated ERK2 Is a Monomer in Vitro with or without Divalent Cations and When Complexed to the Cytoplasmic Scaffold PEA-15 ⬇️

Application of Eukaryotic Elongation Factor-2 Kinase (eEF-2K) for Cancer Therapy: Expression, Purification, and High-Throughput Inhibitor Screening.

Arrestin-3 binds c-Jun N-terminal kinase 1 (JNK1) and JNK2 and facilitates the activation of these ubiquitous JNK isoforms in cells via scaffolding

Arrestin-3 interaction with maternal embryonic leucine-zipper kinase

Arrestin-3 scaffolding of the JNK3 cascade suggests a mechanism for signal amplification

Arrestin-3-Dependent Activation of c-Jun N-Terminal Kinases (JNKs).

Assignment of Backbone Resonances in a Eukaryotic Protein Kinase – ERK2 as a Representative Example ⬇️

Author Correction: Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.

Charge‐Site‐Dependent Dissociation of Hydrogen‐Rich Radical Peptide Cations upon Vacuum UV Photoexcitation ⬇️

Computational Insights for the Discovery of Non-ATP Competitive Inhibitors of MAP Kinases ⬇️

Computational and Experimental Studies of Inhibitor Design for Aldolase A

Computational insights into the binding of IN17 inhibitors to MELK

Construction of human activity-based phosphorylation networks.

Definition of a Novel Feed-Forward Mechanism for Glycolysis-HIF1α Signaling in Hypoxic Tumors Highlights Aldolase A as a Therapeutic Target

Design, synthesis and biological evaluation of fused naphthofuro[3,2-c] quinoline-6,7,12-triones and pyrano[3,2-c]quinoline-6,7,8,13-tetraones derivatives as ERK inhibitors with efficacy in BRAF-mutant melanoma

Design, synthesis, and DNA interaction studies of furo-imidazo[3.3.3]propellane derivatives: Potential anticancer agents

Developing Colorimetric and Luminescence-Based High-Throughput Screening Platforms for Monitoring the GTPase Activity of Ferrous Iron Transport Protein B (FeoB)

Development of a High-Throughput Lysyl Hydroxylase (LH) Assay and Identification of Small-Molecule Inhibitors against LH2

Development of a cost effective and robust AlphaScreen® platform for application.

Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth

Docking interactions of hematopoietic tyrosine phosphatase with MAP kinases ERK2 and p38α.

Droplet-based screening of phosphate transfer catalysis reveals how epistasis shapes MAP kinase interactions with substrates

Elucidating binding modes of zuonin A enantiomers to JNK1 via in silico methods

Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution.

Examining Docking Interactions on ERK2 with Modular Peptide Substrates ⬇️

From in Silico Discovery to intra-Cellular Activity: Targeting JNK-Protein Interactions with Small Molecules ⬇️

Guidelines for the use and interpretation of assays for monitoring autophagy (3rd edition)

Identification and validation of novel PERK inhibitors

Identification of Regulatory Phosphorylation Sites in Mitogen-activated Protein Kinase (MAPK)-activated Protein Kinase-1a/p90 That Are Inducible by MAPK ⬇️

In-situ generation of differential sensors that fingerprint kinases and the cellular response to their expression

JNK Signaling in Stem Cell Self-Renewal and Differentiation

JNK2 Is Required for the Tumorigenic Properties of Melanoma Cells

Local destabilization, rigid body, and fuzzy docking facilitate the phosphorylation of the transcription factor Ets-1 by the mitogen-activated protein kinase ERK2.

Longitudinal tracking of subpopulation dynamics and molecular changes during LNCaP cell castration and identification of inhibitors that could target the PSA-/lo castration-resistant cells.

MELK: a potential novel therapeutic target for TNBC and other aggressive malignancies.

Mechanistic Studies on Covalent Assemblies of Metal-Mediated Hemi-Aminal Ethers.

Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force field

Modulating multi-functional ERK complexes by covalent targeting of a recruitment site in vivo

NO-releasing STAT3 inhibitors suppress BRAF-mutant melanoma growth

Novel quinoline incorporating 1,2,4-triazole/oxime hybrids: Synthesis, molecular docking, anti-inflammatory, COX inhibition, ulceroginicity and histopathological investigations

Optimization of a Luminescence-Based High-Throughput Screening Assay for Detecting Apyrase Activity

Overexpression of GRK6 rescues L-DOPA-induced signaling abnormalities in the dopamine-depleted striatum of hemiparkinsonian rats.

Peptide mini-scaffold facilitates JNK3 activation in cells

Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.

Quantification of ERK Kinase Activity in Biological Samples Using Differential Sensing

Quantification of a Pharmacodynamic ERK End Point in Melanoma Cell Lysates: Toward Personalized Precision Medicine.

Serotonin Analogues as Inhibitors of Breast Cancer Cell Growth

Signal Integration at Elongation Factor 2 Kinase: THE ROLES OF CALCIUM, CALMODULIN, AND SER-500 PHOSPHORYLATION.

Solution Structure of the Carboxy-Terminal Tandem Repeat Domain of Eukaryotic Elongation Factor 2 Kinase and Its Role in Substrate Recognition

Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin

Structural Dynamics of the Activation of Elongation Factor 2 Kinase by Ca2+-Calmodulin.

Structure of the C-Terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase

Synthesis and biological evaluation of pyrido[2,3-d]pyrimidine-2,4-dione derivatives as eEF-2K inhibitors.

Targeting ERK beyond the boundaries of the kinase active site in melanoma

The molecular mechanism of eukaryotic elongation factor 2 kinase activation

The role of calcium in the interaction between calmodulin and a minimal functional construct of eukaryotic elongation factor 2 kinase

Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.

Two Rate-Limiting Steps in the Kinetic Mechanism of the Serine/Threonine Specific Protein Kinase ERK2: A Case of Fast Phosphorylation Followed by Fast Product Release ⬇️

Understanding the Specificity of a Docking Interaction between JNK1 and the Scaffolding Protein JIP1 ⬇️

Using docking and alchemical free energy approach to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis

c-Jun N-terminal kinase promotes stem cell phenotype in triple-negative breast cancer through upregulation of Notch1 via activation of c-Jun