Focused On-demand Library for Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

O14595

UPID:

CTDS2_HUMAN

Alternative names:

Nuclear LIM interactor-interacting factor 2; Protein OS-4; Small C-terminal domain phosphatase 2; Small CTD phosphatase 2

Alternative UPACC:

O14595; A8K5H4; Q53ZR2; Q6NZY3; Q9UEX1

Background:

Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, also known as Small CTD phosphatase 2, plays a crucial role in the regulation of RNA polymerase II transcription. It achieves this by preferentially catalyzing the dephosphorylation of 'Ser-5' within the C-terminal domain of POLR2A, impacting the transition from initiation to elongation of transcript synthesis. Additionally, it is involved in neuronal gene silencing in non-neuronal cells through recruitment by REST to genes with RE-1 elements.

Therapeutic significance:

Understanding the role of Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2 could open doors to potential therapeutic strategies.