Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct targeted libraries for ion channels.


 

Fig. 1. The screening workflow of Receptor.AI

It features detailed molecular simulations of the ion channel in its native membrane environment across its open, closed, and inactivated forms, coupled with ensemble virtual screening considering conformational mobility in these states. Potential binding sites are explored within the pore, in the gating region, and at allosteric locations to encompass all potential mechanisms of action.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q09470

UPID:
KCNA1_HUMAN

ALTERNATIVE NAMES:
Voltage-gated K(+) channel HuKI; Voltage-gated potassium channel HBK1; Voltage-gated potassium channel subunit Kv1.1

ALTERNATIVE UPACC:
Q09470; A6NM83; Q3MIQ9

BACKGROUND:
The protein Kv1.1, also known as Voltage-gated potassium channel subunit Kv1.1, is essential for the proper functioning of the brain and central nervous system. It contributes to the regulation of action potentials and neurotransmitter release, playing a key role in neuronal excitability and heart contraction regulation.

THERAPEUTIC SIGNIFICANCE:
Mutations in Kv1.1 are associated with neurological conditions such as Episodic ataxia 1 and Myokymia isolated 1, underscoring its therapeutic significance. Targeting Kv1.1 could provide novel approaches for managing these diseases, highlighting the importance of ongoing research into its functions and mechanisms.

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