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.


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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused 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
Q9Y2X0

UPID:
MED16_HUMAN

ALTERNATIVE NAMES:
Mediator complex subunit 16; Thyroid hormone receptor-associated protein 5; Thyroid hormone receptor-associated protein complex 95 kDa component; Vitamin D3 receptor-interacting protein complex 92 kDa component

ALTERNATIVE UPACC:
Q9Y2X0; Q6PJT2; Q96AD4; Q96I35; Q9Y652

BACKGROUND:
The protein Mediator of RNA polymerase II transcription subunit 16, with alternative names such as Thyroid hormone receptor-associated protein 5 and Vitamin D3 receptor-interacting protein complex 92 kDa component, is a crucial component of the Mediator complex. This complex is integral for the regulated transcription of nearly all RNA polymerase II-dependent genes, serving as a bridge for information conveyance from regulatory proteins to the transcription machinery.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Mediator of RNA polymerase II transcription subunit 16 holds promise for unveiling novel therapeutic approaches.

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