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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8IVQ6
UPID:
ZDH21_HUMAN
Alternative names:
DHHC domain-containing cysteine-rich protein 21; Zinc finger DHHC domain-containing protein 21
Alternative UPACC:
Q8IVQ6; A8KA95; D3DRI7; Q5VWG1
Background:
Palmitoyltransferase ZDHHC21, also known as DHHC domain-containing cysteine-rich protein 21, plays a crucial role in cellular processes by catalyzing the addition of palmitate onto various protein substrates. This enzyme is pivotal in palmitoylating sex steroid hormone receptors such as ESR1, PGR, and AR, influencing their plasma membrane targeting and impacting rapid intracellular signaling pathways including ERK and AKT kinases. Additionally, ZDHHC21 is involved in epidermal homeostasis and hair follicle differentiation through the palmitoylation of FYN.
Therapeutic significance:
Understanding the role of Palmitoyltransferase ZDHHC21 could open doors to potential therapeutic strategies, especially in the context of diseases related to hormone receptor signaling, skin disorders, and vascular contraction.