Focused On-demand Library for WD repeat domain phosphoinositide-interacting protein 2

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

Q9Y4P8

UPID:

WIPI2_HUMAN

Alternative names:

WIPI49-like protein 2

Alternative UPACC:

Q9Y4P8; B3KNC2; Q5MNZ8; Q6FI96; Q75L50; Q96IE4; Q9Y364

Background:

WD repeat domain phosphoinositide-interacting protein 2 (WIPI2) is pivotal in autophagy, aiding in the degradation of cytoplasmic materials via autophagosomes to lysosomes. It plays a crucial role in the early formation of preautophagosomal structures, activated by phosphatidylinositide 3-phosphate on the endoplasmic reticulum. WIPI2 facilitates the recruitment of the ATG12-ATG5-ATG16L1 complex, essential for autophagosomal membrane elongation and pathogen clearance, including bacteria like Salmonella.

Therapeutic significance:

WIPI2's involvement in intellectual developmental disorder with short stature and variable skeletal anomalies highlights its potential as a therapeutic target. Understanding the role of WIPI2 could open doors to potential therapeutic strategies for treating this genetic disorder and enhancing autophagy-related therapies.