Focused On-demand Library for PDZ domain-containing protein 8

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q8NEN9

UPID:
PDZD8_HUMAN

ALTERNATIVE NAMES:
Sarcoma antigen NY-SAR-84/NY-SAR-104

ALTERNATIVE UPACC:
Q8NEN9; Q86WE0; Q86WE5; Q9UFF1

BACKGROUND:
The PDZ domain-containing protein 8, identified as Sarcoma antigen NY-SAR-84/NY-SAR-104, is integral to the structural and functional connectivity between the endoplasmic reticulum and mitochondria. Its role in facilitating endoplasmic reticulum-mitochondria Ca(2+) transfer is essential for neuronal function, affecting dendritic Ca(2+) dynamics and mitochondrial Ca(2+) uptake. The protein also plays a part in cell shape and the cytoskeletal network and has potential antiviral properties against herpes simplex virus 1.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of PDZ domain-containing protein 8 offers promising avenues for developing treatments for Intellectual developmental disorder with autism and dysmorphic facies, a condition caused by variants in the gene encoding this protein.

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