Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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
Receptor.AI
 
UPACC
Q5MNZ6

UPID:
WIPI3_HUMAN

ALTERNATIVE NAMES:
WD repeat-containing protein 45-like; WD repeat-containing protein 45B; WIPI49-like protein

ALTERNATIVE UPACC:
Q5MNZ6; A0A024R8U4; A0A218N098; O95328; Q2MCP6; Q6IBN2

BACKGROUND:
The WD repeat domain phosphoinositide-interacting protein 3, identified by alternative names such as WD repeat-containing protein 45B, is integral to the autophagy pathway. It interacts with phosphoinositides at the endoplasmic reticulum, facilitating the elongation of phagophores. This process is crucial for the degradation and recycling of cellular components, especially under nutrient-deprived conditions.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in a severe neurodevelopmental disorder with spastic quadriplegia and brain abnormalities, the study of this protein offers a promising avenue for developing therapeutic strategies. Enhancing our understanding of its function and regulation could lead to breakthroughs in treating related autophagy disorders.

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