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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q86Z14
UPID:
KLOTB_HUMAN
Alternative names:
Klotho beta-like protein
Alternative UPACC:
Q86Z14; Q2M3K8
Background:
Beta-klotho, also known as Klotho beta-like protein, plays a crucial role in metabolic processes. It is instrumental in the transcriptional repression of cholesterol 7-alpha-hydroxylase (CYP7A1), a key enzyme in bile acid synthesis. Despite its probable inactivity as a glycosidase, Beta-klotho enhances the binding affinity of FGFR1 and FGFR4 to FGF21, indicating a significant role in cellular signaling pathways.
Therapeutic significance:
Understanding the role of Beta-klotho could open doors to potential therapeutic strategies. Its involvement in crucial metabolic pathways and cellular signaling underscores its potential as a target for treating metabolic disorders.