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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 employ our advanced, specialised process to create 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H4Q4
UPID:
PRD12_HUMAN
Alternative names:
PR domain-containing protein 12
Alternative UPACC:
Q9H4Q4; A3KFK9
Background:
PR domain zinc finger protein 12, alternatively known as PR domain-containing protein 12, plays a crucial role in the positive regulation of histone H3-K9 dimethylation. This epigenetic modification is pivotal for chromatin structure and gene expression.
Therapeutic significance:
The protein is implicated in Neuropathy, hereditary sensory and autonomic, 8 (HSAN8), characterized by congenital insensitivity to pain and potential ulceration of extremities. Understanding the role of PR domain zinc finger protein 12 could lead to novel therapeutic strategies for HSAN8.