AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Potassium voltage-gated channel subfamily V member 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for ion channels.

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the channel in its native membrane environment in open, closed and inactivated forms and the ensemble virtual screening accounting for conformational mobility in each of these states. Tentative binding pockets are considered inside the pore, in the gating region and in the allosteric locations to cover the whole spectrum of possible mechanisms of action.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q8TDN2

UPID:

KCNV2_HUMAN

Alternative names:

Voltage-gated potassium channel subunit Kv8.2

Alternative UPACC:

Q8TDN2; Q5T6X0

Background:

Potassium voltage-gated channel subfamily V member 2, also known as Kv8.2, plays a crucial role in modulating neuronal excitability and signal transduction by altering potassium channel activity. This modulation is achieved through shifting the activation threshold and half-maximal activation towards more negative values, thereby influencing cellular processes.

Therapeutic significance:

Kv8.2's involvement in Cone dystrophy retinal 3B, a rare eye disorder characterized by reduced visual acuity and abnormal color vision, highlights its potential as a target for therapeutic intervention. Understanding the role of Kv8.2 could open doors to potential therapeutic strategies for treating this debilitating condition.

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