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 top-notch dedicated system is used to design specialised 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96EK5
UPID:
KBP_HUMAN
Alternative names:
KIF1-binding protein; Kinesin family binding protein
Alternative UPACC:
Q96EK5; A8K5M8; Q9BR89; Q9ULE1; Q9Y428
Background:
KIF-binding protein, also known as KIF1-binding protein or Kinesin family binding protein, plays a crucial role in the organization of axonal microtubules. It is essential for axonal outgrowth and maintenance during the development of the peripheral and central nervous system.
Therapeutic significance:
Goldberg-Shprintzen syndrome, a disorder marked by intellectual disability, microcephaly, and dysmorphic facial features, often accompanied by Hirschsprung disease, is linked to variants affecting the KIF-binding protein gene. Understanding the role of KIF-binding protein could open doors to potential therapeutic strategies for this syndrome.