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.
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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q5D862
UPID:
FILA2_HUMAN
Alternative names:
Intermediate filament-associated and psoriasis-susceptibility protein
Alternative UPACC:
Q5D862; Q9H4U1
Background:
Filaggrin-2, also known as Intermediate filament-associated and psoriasis-susceptibility protein, plays a pivotal role in cell-cell adhesion within the cornified cell layers of the epidermis. It is crucial for maintaining the integrity and mechanical strength of the stratum corneum, ensuring the skin's barrier function is intact.
Therapeutic significance:
Peeling skin syndrome 6, a genodermatosis characterized by skin peeling and exacerbated by warmth and humidity, is linked to mutations in the Filaggrin-2 gene. Understanding the role of Filaggrin-2 could open doors to potential therapeutic strategies for this condition and related skin disorders.