Article

Protein flexibility and dissociation pathway differentiation can explain onset of resistance mutations in kinases

2021-07-03

Abstract excerpt

Understanding how point mutations can render a ligand or a drug ineffective against a given biological target is a problem of immense fundamental and practical relevance. Often the efficacy of such resistance mutations can be explained purely on a thermo-dynamic basis wherein the mutated system displays a reduced binding affinity for the ligand. However, the more perplexing and harder to explain situation is when...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: bf366491-572d-577a-a21b-db5c25a86189
DOI: 10.1101/2021.07.02.450932

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Protein flexibility and dissociation pathway differentiation can explain onset of resistance mutations in kinasesDOI 10.1101/2021.07.02.450932Read

Protein Flexibility and Dissociation Pathway Differentiation Can Explain Onset of Resistance Mutations in Kinases.Semantic proximity Read

Revealing imatinib-kinase specificity via analyzing changes in protein dynamics and computing molecular binding affinitySemantic proximity Read

Kinase dynamics. Using ancient protein kinases to unravel a modern cancer drug's mechanism.Semantic proximity Read

Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational DynamicsSemantic proximity Read

Site-Mutation of Hydrophobic Core Residues Synchronically Poise Super Interleukin 2 for Signaling: Identifying Distant Structural Effects through Affordable Computations.Semantic proximity Read

Dynamics of human protein kinases linked to drug selectivitySemantic proximity Read

Thermodynamic Architecture and Conformational Plasticity of GPCRsSemantic proximity Read

A shift of dynamic equilibrium between the KIT active and inactive states causes drug resistance.Semantic proximity Read

A dynamical-nonequilibrium molecular dynamics (D-NEMD) alanine scanning approach for identifying allosteric positions in proteinsSemantic proximity Read

Hierarchical modeling of activation mechanisms in the ABL and EGFR kinase domains: thermodynamic and mechanistic catalysts of kinase activation by cancer mutations.Semantic proximity Read

Mutation in Abl kinase with altered drug binding kinetics indicates a novel mechanism of imatinib resistanceSemantic proximity Read

Elements and modulation of functional dynamics.Semantic proximity Read