Focused On-demand Library for Mediator of RNA polymerase II transcription subunit 12

Focused On-demand Libraries - Reaxense 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.

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 for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms of action.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q93074

UPID:

MED12_HUMAN

Alternative names:

Activator-recruited cofactor 240 kDa component; CAG repeat protein 45; Mediator complex subunit 12; OPA-containing protein; Thyroid hormone receptor-associated protein complex 230 kDa component; Trinucleotide repeat-containing gene 11 protein

Alternative UPACC:

Q93074; O15410; O75557; Q9UHV6; Q9UND7

Background:

Mediator of RNA polymerase II transcription subunit 12, also known as Mediator complex subunit 12, plays a pivotal role in the regulated transcription of nearly all RNA polymerase II-dependent genes. It acts as a bridge, conveying information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery, and is crucial for the assembly of a functional pre-initiation complex.

Therapeutic significance:

The protein is implicated in several X-linked disorders, including Opitz-Kaveggia syndrome, Lujan-Fryns type intellectual developmental disorder, Ohdo syndrome, and Hardikar syndrome. These associations highlight its potential as a target for therapeutic strategies aimed at treating these genetic conditions.