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
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P25685
UPID:
DNJB1_HUMAN
Alternative names:
DnaJ protein homolog 1; Heat shock 40 kDa protein 1; Human DnaJ protein 1
Alternative UPACC:
P25685; B4DX52
Background:
DnaJ homolog subfamily B member 1, also known as DnaJ protein homolog 1, Heat shock 40 kDa protein 1, and Human DnaJ protein 1, plays a crucial role in protein folding and stress response. It interacts with HSP70, enhancing its ATPase activity, and facilitates the association between HSC70 and HIP. This protein is instrumental in regulating heat shock-induced HSF1 transcriptional activity and aids in the folding of unfolded proteins mediated by HSPA1A/B.
Therapeutic significance:
Understanding the role of DnaJ homolog subfamily B member 1 could open doors to potential therapeutic strategies.