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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q71SY5

UPID:
MED25_HUMAN

ALTERNATIVE NAMES:
Activator interaction domain-containing protein 1; Activator-recruited cofactor 92 kDa component; Mediator complex subunit 25; p78

ALTERNATIVE UPACC:
Q71SY5; A8K095; B9TX30; O95783; Q6P143; Q6QMH5; Q707U4; Q8TB55; Q9H0L5; Q9HB34

BACKGROUND:
The Mediator complex subunit 25, known alternatively as Activator-recruited cofactor 92 kDa component, is a crucial component of the Mediator complex. This complex is integral for the transcription of RNA polymerase II-dependent genes, serving as a scaffold for the assembly of a functional preinitiation complex. Its role is indispensable in the transcriptional regulation mediated by RARA/RXRA.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in gene expression and its association with Charcot-Marie-Tooth disease, axonal, 2B2, and Basel-Vanagaite-Smirin-Yosef syndrome, Mediator of RNA polymerase II transcription subunit 25 represents a promising target for drug discovery. Exploring its functions further could lead to breakthroughs in treating these complex diseases.

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