Article

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains

2022-09-05

Abstract excerpt

The design of compounds that can discriminate between closely related target proteins remains a central challenge in drug discovery. Specific therapeutics targeting the highly conserved myosin motor family are urgently needed as mutations in at least 6 of its members cause numerous diseases. Allosteric modulators, like the myosin-II inhibitor blebbistatin, are a promising means to achieve specificity. However, it...

Topics

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

Identifiers and source

Literature Corpus work: c399a2da-6238-5fdf-a0c6-fdbea37f21f8
DOI: 10.1101/2022.09.05.506254

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domainsDOI 10.1101/2022.09.05.506254Read

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domainsSemantic proximity Read

Markovian State Models uncover Casein Kinase 1 dynamics that govern circadian periodSemantic proximity Read

Cryo-EM Reveals How Cardiomyopathy Therapeutic Drugs Modulate the Myosin Motors of the HeartSemantic proximity Read

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

Small molecule binding to disordered proteinsSemantic proximity Read

Integrating comparative modeling and accelerated simulations reveals conformational and energetic basis of actomyosin force generationSemantic proximity Read

Mavacamten inhibits myosin activity by stabilising the myosin interacting-heads motif and stalling motor force generationSemantic proximity Read

Myosin-Catalyzed ATP Hydrolysis in the Presence of Disease-Causing Mutations: Mavacamten as a Way to Repair Mechanism.Semantic proximity Read

Affinity, avidity, and kinetics of target sequence binding to LC8 dynein light chain isoforms.Semantic proximity Read

A hydrophobic cluster controls long-range allostery in the TRMT2A RNA recognition motifSemantic proximity Read

Mavacamten stabilizes the auto-inhibited state of two-headed cardiac myosinSemantic proximity Read

Kinesin-5 allosteric inhibitors uncouple the dynamics of nucleotide, microtubule, and neck-linker binding sites.Semantic proximity Read