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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P57729
UPID:
RAB38_HUMAN
Alternative names:
Melanoma antigen NY-MEL-1
Alternative UPACC:
P57729; Q53XK7
Background:
Ras-related protein Rab-38, also known as Melanoma antigen NY-MEL-1, plays a pivotal role in melanosome biogenesis and the regulation of melanin production in melanocytes. It is involved in the transport and sorting of TYRP1, cooperating with ANKRD27 and VAMP7, and plays a crucial role in the maturation of phagosomes that engulf pathogens like S.aureus and M.tuberculosis. Additionally, Rab-38, alongside RAB32, orchestrates the trafficking of melanogenic enzymes to melanosomes, highlighting its significance in cellular processes.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-38 could open doors to potential therapeutic strategies.