Focused On-demand Library for GPN-loop GTPase 1

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.

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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9HCN4

UPID:

GPN1_HUMAN

Alternative names:

MBD2-interacting protein; RNAPII-associated protein 4; XPA-binding protein 1

Alternative UPACC:

Q9HCN4; B4DQJ5; B4DQM4; B4DXU4; B5MBZ5; O76004

Background:

GPN-loop GTPase 1, also known as MBD2-interacting protein, RNAPII-associated protein 4, and XPA-binding protein 1, plays a crucial role in cellular processes. It is essential for the proper nuclear import of RNA polymerase II, a key enzyme in the transcription process. This protein may act at an assembly step prior to nuclear import and forms an interface between RNA polymerase II and chaperone/scaffolding proteins. It is also involved in the nuclear localization of XPA, highlighting its significance in cellular functioning.

Therapeutic significance:

Understanding the role of GPN-loop GTPase 1 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as the transcription mechanism and protein complex formation makes it a promising target for drug discovery efforts aimed at treating diseases with underlying genetic and transcriptional dysregulation.