Focused On-demand Library for Phosphoinositide 3-kinase regulatory subunit 5

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct 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

Q8WYR1

UPID:

PI3R5_HUMAN

Alternative names:

PI3-kinase p101 subunit; Phosphatidylinositol 4,5-bisphosphate 3-kinase regulatory subunit; Protein FOAP-2; PtdIns-3-kinase p101; p101-PI3K

Alternative UPACC:

Q8WYR1; B0LPH4; D3DTS3; Q5G936; Q5G938; Q5G939; Q8IZ23; Q9Y2Y2

Background:

Phosphoinositide 3-kinase regulatory subunit 5, known as PI3-kinase p101 subunit among other names, plays a pivotal role in cellular processes by acting as a regulatory component of the PI3K gamma complex. It facilitates the recruitment of the catalytic subunit to the plasma membrane through interaction with beta-gamma G protein dimers, essential for G protein-mediated activation of PIK3CG.

Therapeutic significance:

Linked to Ataxia-oculomotor apraxia 3, a disease characterized by cerebellar ataxia, oculomotor apraxia, areflexia, and peripheral neuropathy, this protein's genetic variants underscore its clinical importance. Understanding the role of Phosphoinositide 3-kinase regulatory subunit 5 could open doors to potential therapeutic strategies for this autosomal recessive disease.