Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.


 

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.


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
P14060

UPID:
3BHS1_HUMAN

ALTERNATIVE NAMES:
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type I; 3-beta-hydroxy-5-ene steroid dehydrogenase; 3-beta-hydroxy-Delta(5)-steroid dehydrogenase; 3-beta-hydroxysteroid 3-dehydrogenase; Delta-5-3-ketosteroid isomerase; Dihydrotestosterone oxidoreductase; Steroid Delta-isomerase; Trophoblast antigen FDO161G

ALTERNATIVE UPACC:
P14060; A8K691; Q14545; Q8IV65

BACKGROUND:
The enzyme 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 is integral to the production of steroid hormones, facilitating the conversion of precursors like pregnenolone into active steroids such as progesterone and testosterone. This enzyme's activity ensures the regulation of critical physiological functions, including development, metabolism, and immune response.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 offers a promising avenue for developing novel treatments. By modulating its activity, researchers could potentially address a spectrum of conditions stemming from steroid hormone dysregulation.

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