Focused On-demand Library for MOB kinase activator 3A

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


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
Q96BX8

UPID:
MOB3A_HUMAN

ALTERNATIVE NAMES:
MOB-LAK; Mob1 homolog 2A; Mps one binder kinase activator-like 2A

ALTERNATIVE UPACC:
Q96BX8; B3KTF1; O75249; Q8TF69

BACKGROUND:
The protein MOB kinase activator 3A, with aliases including MOB-LAK, Mob1 homolog 2A, and Mps one binder kinase activator-like 2A, is instrumental in the regulation of kinase activities. With its unique ability to influence kinase functions, it stands at the crossroads of critical cellular signaling pathways, as denoted by its unique identifier Q96BX8.

THERAPEUTIC SIGNIFICANCE:
The exploration of MOB kinase activator 3A's function offers a promising avenue for the development of novel therapeutic interventions. Given its regulatory role in kinase activities, targeting this protein could lead to breakthroughs in the treatment of diseases by harnessing its potential to modulate key cellular processes.

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