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

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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

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.