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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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

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.

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.