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 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6ISB3
UPID:
GRHL2_HUMAN
Alternative names:
Brother of mammalian grainyhead; Transcription factor CP2-like 3
Alternative UPACC:
Q6ISB3; A1L303; Q6NT03; Q9H8B8
Background:
Grainyhead-like protein 2 homolog (Grhl2), also known as Brother of mammalian grainyhead and Transcription factor CP2-like 3, plays a pivotal role in primary neurulation and epithelial development. It binds directly to DNA, acting as both activator and repressor of target genes. Grhl2 is crucial for embryogenesis, epithelial morphogenesis, and wound repair, showing functional redundancy with GRHL3 in certain processes.
Therapeutic significance:
Grhl2 is implicated in diseases such as autosomal dominant deafness, ectodermal dysplasia/short stature syndrome, and posterior polymorphous corneal dystrophy. Understanding the role of Grhl2 could open doors to potential therapeutic strategies for these conditions.