Focused On-demand Library for RNA demethylase ALKBH5

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q6P6C2

UPID:
ALKB5_HUMAN

ALTERNATIVE NAMES:
Alkylated DNA repair protein alkB homolog 5; Alpha-ketoglutarate-dependent dioxygenase alkB homolog 5

ALTERNATIVE UPACC:
Q6P6C2; B4DVJ4; D3DXC6; Q9NXD6

BACKGROUND:
The protein RNA demethylase ALKBH5, alternatively known as Alpha-ketoglutarate-dependent dioxygenase alkB homolog 5, is a key player in the epigenetic regulation of gene expression. By demethylating N(6)-methyladenosine (m6A) in RNA, it influences mRNA splicing, processing, and stability. This activity is crucial for the late meiotic and haploid phases of spermatogenesis, indicating its importance in reproductive biology. The enzyme's requirement for molecular oxygen, alpha-ketoglutarate, and iron underscores its intricate molecular mechanism.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of RNA demethylase ALKBH5 offers promising avenues for developing novel therapeutic interventions. Its critical role in RNA metabolism and spermatogenesis suggests potential applications in treating reproductive disorders and manipulating gene expression for therapeutic purposes.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8426 of 8789