Focused On-demand Library for TIR domain-containing adapter molecule 1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8IUC6

UPID:

TCAM1_HUMAN

Alternative names:

Proline-rich, vinculin and TIR domain-containing protein B; Putative NF-kappa-B-activating protein 502H; Toll-interleukin-1 receptor domain-containing adapter protein inducing interferon beta

Alternative UPACC:

Q8IUC6; B3Y691; O75532; Q86XP8; Q96GA0

Background:

TIR domain-containing adapter molecule 1 (TICAM1) plays a pivotal role in innate immunity, acting as an adapter for TLR3, TLR4, and TLR5 to trigger NF-kappa-B and IRF activation, and induce apoptosis. It is crucial in mediating immune responses against pathogens, through recruitment of effector proteins leading to transcription factors activation and type I interferon expression.

Therapeutic significance:

Given its involvement in the immune response to human herpesvirus 1 (HHV-1) and its association with encephalopathy, acute, infection-induced, 6, herpes-specific, understanding the role of TICAM1 could open doors to potential therapeutic strategies for this rare but severe condition.