Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Protein Networks02:26

Protein Networks

An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
Protein-protein Interfaces02:04

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a polypeptide...
Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches01:14

Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches

Drug disposition in the body is a complex process and can be studied using two major approaches: the model and the model-independent approaches.
The model approach uses mathematical models to describe changes in drug concentration over time. Pharmacokinetic models help characterize drug behavior in patients, predict drug concentration in the body fluids, calculate optimum dosage regimens, and evaluate the risk of toxicity. However, ensuring that the model fits the experimental data accurately...
Protein Kinases and Phosphatases02:54

Protein Kinases and Phosphatases

Proteins undergo chemical modifications that trigger changes in the charge, structure, and conformation of the proteins. Phosphorylation, acetylation, glycosylation, nitrosylation, ubiquitination, lipidation, methylation, and proteolysis are various protein modifications that regulate protein activity. Such modifications are usually enzyme-driven.
Protein kinases
Many proteins in the cell are regulated by phosphorylation, the addition of a phosphate group. A family of enzymes called kinases...
Protein Kinases and Phosphatases02:54

Protein Kinases and Phosphatases

Proteins undergo chemical modifications that trigger changes in the charge, structure, and conformation of the proteins. Phosphorylation, acetylation, glycosylation, nitrosylation, ubiquitination, lipidation, methylation, and proteolysis are various protein modifications that regulate protein activity. Such modifications are usually enzyme-driven.
Protein kinases
Many proteins in the cell are regulated by phosphorylation, the addition of a phosphate group. A family of enzymes called kinases...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Cancer intrinsic protein neddylation modulates the intra-tumoral immune landscape to constrain immune checkpoint blockade therapy.

Cancer immunology research·2026
Same author

Discovery of a novel inhibitor of macropinocytosis with antiviral activity.

Molecular therapy : the journal of the American Society of Gene Therapy·2024
Same author

Morphological profiling of environmental chemicals enables efficient and untargeted exploration of combination effects.

The Science of the total environment·2022
Same author

A phenomics approach for antiviral drug discovery.

BMC biology·2021
Same author

A confidence predictor for logD using conformal regression and a support-vector machine.

Journal of cheminformatics·2018
Same author

Towards Proteome-Wide Interaction Models Using the Proteochemometrics Approach.

Molecular informatics·2016

Related Experiment Video

Updated: Jun 12, 2026

Characterization at the Molecular Level using Robust Biochemical Approaches of a New Kinase Protein
11:23

Characterization at the Molecular Level using Robust Biochemical Approaches of a New Kinase Protein

Published on: June 30, 2019

Kinome-wide interaction modelling using alignment-based and alignment-independent approaches for kinase description

Maris Lapins1, Jarl Es Wikberg

  • 1Department of Pharmaceutical Pharmacology, Uppsala University, Sweden.

BMC Bioinformatics
|June 24, 2010
PubMed
Summary
This summary is machine-generated.

Proteochemometric modeling accurately predicts protein kinase inhibitor interactions, aiding in the design of selective drugs. This approach can accelerate the development of targeted cancer therapies with reduced toxicity.

More Related Videos

Identification of Kinase-substrate Pairs Using High Throughput Screening
11:13

Identification of Kinase-substrate Pairs Using High Throughput Screening

Published on: August 29, 2015

Kinase Inhibitor Screening In Self-assembled Human Protein Microarrays
13:22

Kinase Inhibitor Screening In Self-assembled Human Protein Microarrays

Published on: October 23, 2019

Related Experiment Videos

Last Updated: Jun 12, 2026

Characterization at the Molecular Level using Robust Biochemical Approaches of a New Kinase Protein
11:23

Characterization at the Molecular Level using Robust Biochemical Approaches of a New Kinase Protein

Published on: June 30, 2019

Identification of Kinase-substrate Pairs Using High Throughput Screening
11:13

Identification of Kinase-substrate Pairs Using High Throughput Screening

Published on: August 29, 2015

Kinase Inhibitor Screening In Self-assembled Human Protein Microarrays
13:22

Kinase Inhibitor Screening In Self-assembled Human Protein Microarrays

Published on: October 23, 2019

Area of Science:

  • Computational biology
  • Drug discovery
  • Bioinformatics

Background:

  • Protein kinases are vital in cell functions; dysregulation causes diseases like cancer.
  • Current kinase inhibitors lack selectivity, leading to toxic side effects.
  • Bioinformatics can predict inhibitor-kinase interactions for improved drug design.

Purpose of the Study:

  • To develop and validate a proteochemometric model for predicting inhibitor-kinase interactions.
  • To identify optimal methods for encoding kinase properties and correlation analysis.
  • To assess the model's performance and scalability.

Main Methods:

  • Applied proteochemometric modeling to 317 kinases and 38 inhibitors (12,046 combinations).
  • Utilized amino acid physico-chemical z-scale descriptors for kinase sequences.
  • Employed support vector machines and partial least-squares for correlation analysis.
  • Validated models using double cross-validation.

Main Results:

  • Achieved high predictive ability for new kinase-inhibitor pairs (P2 = 0.67-0.73) and new kinases (P2kin = 0.65-0.70).
  • Demonstrated high sensitivity and specificity in distinguishing interacting pairs (AUC = 0.92-0.93).
  • A valid model was obtained using only 10% of the data, showing scalability.

Conclusions:

  • Proteochemometrics is highly applicable for kinome-wide interaction modeling.
  • This approach can accelerate the identification and optimization of kinase inhibitors.
  • Enables the design of more selective kinase-targeted and multi-targeted therapies.