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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NBQ5
UPID:
DHB11_HUMAN
Alternative names:
17-beta-hydroxysteroid dehydrogenase 11; 17-beta-hydroxysteroid dehydrogenase XI; Cutaneous T-cell lymphoma-associated antigen HD-CL-03; Dehydrogenase/reductase SDR family member 8; Retinal short-chain dehydrogenase/reductase 2; Short chain dehydrogenase/reductase family 16C member 2
Alternative UPACC:
Q8NBQ5; Q96HF6; Q9UKU4
Background:
Estradiol 17-beta-dehydrogenase 11, also known as 17-beta-hydroxysteroid dehydrogenase 11, plays a crucial role in androgen metabolism during steroidogenesis. It converts androstan-3-alpha,17-beta-diol to androsterone, impacting steroid synthesis through metabolizing compounds or generating inhibitory metabolites. Despite its limited activity towards DHEA, A-dione, and testosterone, it is identified as a tumor-associated antigen in cutaneous T-cell lymphoma.
Therapeutic significance:
Understanding the role of Estradiol 17-beta-dehydrogenase 11 could open doors to potential therapeutic strategies, especially in the context of its involvement in androgen metabolism and its association with cutaneous T-cell lymphoma.