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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96GR4
UPID:
ZDH12_HUMAN
Alternative names:
DHHC domain-containing cysteine-rich protein 12; Zinc finger DHHC domain-containing protein 12; Zinc finger protein 400
Alternative UPACC:
Q96GR4; A6NH95; B2RE03; Q5T265; Q5T267; Q5T268; Q86VT5; Q96T09
Background:
Palmitoyltransferase ZDHHC12, also known as DHHC domain-containing cysteine-rich protein 12, plays a crucial role in cellular processes by catalyzing the addition of palmitate onto various protein substrates. Its activity towards gephyrin/GPHN is essential for synaptic clustering and gamma-aminobutyric acid receptor clustering, indirectly influencing GABAergic synaptic transmission. Additionally, ZDHHC12 inhibits the NLRP3 inflammasome by mediating NLRP3 palmitoylation, leading to its degradation.
Therapeutic significance:
Understanding the role of Palmitoyltransferase ZDHHC12 could open doors to potential therapeutic strategies.