Focused On-demand Library for Hydroxysteroid dehydrogenase-like protein 2

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.


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

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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q6YN16

UPID:
HSDL2_HUMAN

ALTERNATIVE NAMES:
Short chain dehydrogenase/reductase family 13C member 1

ALTERNATIVE UPACC:
Q6YN16; A8K1L4; A8K8X1; A8MSV3; Q658M8; Q9BT58

BACKGROUND:
The protein Hydroxysteroid dehydrogenase-like protein 2, alternatively named Short chain dehydrogenase/reductase family 13C member 1, stands out due to its lack of steroid dehydrogenase activity. This characteristic implies a specific, yet unidentified, role in biological systems, making it a subject of significant scientific interest.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Hydroxysteroid dehydrogenase-like protein 2 could lead to groundbreaking therapeutic approaches. Its distinct enzymatic properties suggest potential for novel drug development, underscoring the need for comprehensive research into its biological role.

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