Focused On-demand Library for Interferon-induced GTP-binding protein Mx2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

P20592

UPID:

MX2_HUMAN

Alternative names:

Interferon-regulated resistance GTP-binding protein MxB; Myxovirus resistance protein 2; p78-related protein

Alternative UPACC:

P20592; B7Z5D3; D3DSI7

Background:

Interferon-induced GTP-binding protein Mx2, also known as Myxovirus resistance protein 2, plays a pivotal role in the body's defense against viral pathogens, particularly HIV-1 and SIV-mnd. By targeting the viral capsid, it impedes the nuclear uptake and stability of the viral replication complex, crucial for the integration of proviral DNA into the host genome. This protein is also implicated in regulating nucleocytoplasmic transport and cell-cycle progression.

Therapeutic significance:

Understanding the role of Interferon-induced GTP-binding protein Mx2 could open doors to potential therapeutic strategies. Its potent antiviral activity, especially against HIV-1, positions it as a promising target for developing novel antiviral therapies.