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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UJ41
UPID:
RABX5_HUMAN
Alternative names:
RAP1; Rabaptin-5-associated exchange factor for Rab5; Rabex-5
Alternative UPACC:
Q9UJ41; B4DZM7; Q3HKR2; Q3HKR3; Q53FG0
Background:
The Rab5 GDP/GTP exchange factor, also known as RAP1, Rabaptin-5-associated exchange factor for Rab5, and Rabex-5, plays a pivotal role in cellular processes. It functions as a Rab effector protein, facilitating the linkage between gamma-adaptin, RAB4A, or RAB5A. This protein is crucial in endocytic membrane fusion and the membrane trafficking of recycling endosomes, enhancing nucleotide exchange on RAB5A. Additionally, it possesses the capability to act as a ubiquitin ligase, further underscoring its versatility in cellular functions.
Therapeutic significance:
Understanding the role of Rab5 GDP/GTP exchange factor could open doors to potential therapeutic strategies.