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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q7Z6J4
UPID:
FGD2_HUMAN
Alternative names:
Zinc finger FYVE domain-containing protein 4
Alternative UPACC:
Q7Z6J4; Q5T8I1; Q6P6A8; Q6ZNL5; Q8IZ32; Q8N868; Q9H7M2
Background:
FYVE, RhoGEF, and PH domain-containing protein 2, also known as Zinc finger FYVE domain-containing protein 4, plays a crucial role in cellular signaling. It activates CDC42, a key protein in the Ras-like family, facilitating the exchange of GDP for GTP. This activation process is pivotal for the activation of JNK1 via CDC42, impacting cellular functions such as cell growth and differentiation. The protein's ability to bind various phosphatidylinositols underscores its significance in cellular signaling pathways.
Therapeutic significance:
Understanding the role of FYVE, RhoGEF, and PH domain-containing protein 2 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways offers a promising avenue for the development of targeted therapies in diseases where these pathways are dysregulated.