Focused On-demand Library for Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

O60741

UPID:

HCN1_HUMAN

Alternative names:

Brain cyclic nucleotide-gated channel 1

Alternative UPACC:

O60741

Background:

Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1, also known as Brain cyclic nucleotide-gated channel 1, plays a pivotal role in heart and neuronal pacemaker currents. Exhibiting weak selectivity for potassium over sodium ions, it is integral to the generation of native pacemaker currents in the heart (If) and neurons (Ih), and may also mediate responses to sour stimuli.

Therapeutic significance:

Linked to Developmental and epileptic encephalopathy 24 and Generalized epilepsy with febrile seizures plus 10, this protein's variants affect gene expression, leading to early-onset seizures, intellectual disability, and behavioral disturbances. Understanding its role could unveil novel therapeutic strategies for these neurological disorders.