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.
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 our associate Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O94911
UPID:
ABCA8_HUMAN
Alternative names:
ATP-binding cassette sub-family A member 8
Alternative UPACC:
O94911; A1L3U3; C9JQE6; Q86WW0
Background:
The ATP-binding cassette sub-family A member 8 (ABCA8) plays a pivotal role in cellular processes through the ATP-dependent import and efflux of organic anions and cholesterol. This protein is involved in the transport of substances such as taurocholate, estrone sulfate, and ochratoxin A, as well as in cholesterol efflux and sphingomyelin production in oligodendrocytes. Its interaction with ABCA1 enhances cholesterol efflux to lipid-free APOA1, crucial for regulating high-density lipoprotein cholesterol levels.
Therapeutic significance:
Understanding the role of ATP-binding cassette sub-family A member 8 could open doors to potential therapeutic strategies.