Focused On-demand Library for Mediator of RNA polymerase II transcription subunit 22

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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

Fig. 1. The sreening 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q15528

UPID:

MED22_HUMAN

Alternative names:

Mediator complex subunit 22; Surfeit locus protein 5

Alternative UPACC:

Q15528; B3KW83; B3KWX4; O76072; Q5T8U0

Background:

Mediator of RNA polymerase II transcription subunit 22, also known as Mediator complex subunit 22 or Surfeit locus protein 5, plays a pivotal role in the transcription of RNA polymerase II-dependent genes. It acts as a coactivator, facilitating the transfer of information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. By recruiting to promoters through direct interactions with regulatory proteins, it serves as a crucial scaffold for preinitiation complex assembly.

Therapeutic significance:

Understanding the role of Mediator of RNA polymerase II transcription subunit 22 could open doors to potential therapeutic strategies.