Focused On-demand Library for Inward rectifier potassium channel 16

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NPI9

UPID:

KCJ16_HUMAN

Alternative names:

Inward rectifier K(+) channel Kir5.1; Potassium channel, inwardly rectifying subfamily J member 16

Alternative UPACC:

Q9NPI9

Background:

Inward rectifier potassium channel 16 (KCNJ16), also known as Kir5.1, plays a pivotal role in maintaining potassium ion balance across cell membranes. This channel's unique property of allowing potassium ions to flow more readily into the cell than out underlies its critical function in regulating cell excitability and potassium homeostasis. KCNJ16, alongside KCNJ10, is instrumental in the basolateral recycling of potassium in kidney distal tubules, a process essential for sodium reabsorption and fluid and pH balance.

Therapeutic significance:

KCNJ16's involvement in Hypokalemic tubulopathy and deafness, a disease characterized by renal tubulopathy, hypokalemia, salt wasting, and sensorineural deafness, underscores its therapeutic potential. Targeting KCNJ16 could lead to innovative treatments for this autosomal recessive disorder, offering hope for patients suffering from its debilitating effects.