Focused On-demand Library for Interferon-induced GTP-binding protein Mx1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

P20591

UPID:

MX1_HUMAN

Alternative names:

Interferon-induced protein p78; Interferon-regulated resistance GTP-binding protein MxA; Myxoma resistance protein 1; Myxovirus resistance protein 1

Alternative UPACC:

P20591; B2RDA5; B3KU10; C9IYV7; C9J8D6; C9JN19; C9JN88; C9JUL1; C9JZS6; D3DSI8; Q86YP5; Q96CI3

Background:

The Interferon-induced GTP-binding protein Mx1, also known as Myxovirus resistance protein 1, plays a crucial role in the body's defense against a broad spectrum of viruses, including RNA and DNA viruses. By binding to and inactivating the ribonucleocapsid of these viruses, Mx1 effectively hampers their replication process. Its antiviral activity extends to preventing the nuclear import of viral nucleocapsids and sequestering viral components, thereby inhibiting virus replication and spread.

Therapeutic significance:

Understanding the role of Interferon-induced GTP-binding protein Mx1 could open doors to potential therapeutic strategies. Its broad antiviral activity suggests that enhancing or mimicking its function could lead to novel treatments for viral infections, offering hope in the fight against emerging and re-emerging viral diseases.