Focused On-demand Library for Protein diaphanous homolog 3

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9NSV4

UPID:
DIAP3_HUMAN

ALTERNATIVE NAMES:
Diaphanous-related formin-3; MDia2

ALTERNATIVE UPACC:
Q9NSV4; A2A3B8; A2A3B9; A2A3C0; Q18P99; Q18PA0; Q18PA1; Q2KPB6; Q3ZK23; Q5JTP8; Q5T2S7; Q5XKF6; Q6MZF0; Q6NUP0; Q86VS4; Q8NAV4

BACKGROUND:
The Protein diaphanous homolog 3, known alternatively as MDia2 or Diaphanous-related formin-3, is a key factor in actin nucleation and elongation, necessary for the formation of F-actin structures like actin cables and stress fibers. It is indispensable for cytokinesis, stress fiber formation, and the transcriptional activation of the serum response factor. MDia2 operates by interacting with the GTP-bound form of Rho and profilin, promoting actin polymerization in a Rho-dependent manner and linking Rho and Src tyrosine kinase signaling to actin dynamics. Its role extends to the nucleus, where it promotes nuclear actin polymerization to facilitate serum-dependent SRF-MRTFA activity.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in auditory neuropathy, autosomal dominant 1, a condition marked by sensorineural hearing loss and abnormal auditory responses, Protein diaphanous homolog 3 represents a potential target for therapeutic intervention. Understanding the function of MDia2 could lead to the development of novel therapeutic strategies.

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