Focused On-demand Library for PH-interacting protein

Focused On-demand Libraries - Reaxense 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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted 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

Q8WWQ0

UPID:

PHIP_HUMAN

Alternative names:

DDB1- and CUL4-associated factor 14; IRS-1 PH domain-binding protein; WD repeat-containing protein 11

Alternative UPACC:

Q8WWQ0; A7J992; B2RPK4; Q05CQ9; Q5VVH4; Q66I29; Q69YV1; Q8NBZ5; Q96H52; Q96ME2; Q9H261

Background:

PH-interacting protein, also known as DDB1- and CUL4-associated factor 14, IRS-1 PH domain-binding protein, and WD repeat-containing protein 11, plays a crucial role in cellular processes. It is a probable regulator of insulin and insulin-like growth factor signaling pathways, stimulating cell proliferation via cyclin transcription regulation and possessing anti-apoptotic activity through AKT1 phosphorylation.

Therapeutic significance:

Linked to Chung-Jansen syndrome, characterized by developmental delay and intellectual disability, PH-interacting protein's understanding could pave the way for innovative therapeutic strategies targeting this autosomal dominant disorder.