Focused On-demand Library for Signal transducer and activator of transcription 1-alpha/beta

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.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P42224

UPID:

STAT1_HUMAN

Alternative names:

Transcription factor ISGF-3 components p91/p84

Alternative UPACC:

P42224; A8K989; B2RCA0; D2KFR8; D3DPI7; Q53S88; Q53XW4; Q68D00; Q9UDL5

Background:

Signal transducer and activator of transcription 1-alpha/beta (STAT1) plays a pivotal role in mediating cellular responses to a broad spectrum of cytokines, growth factors, and interferons. Activation of STAT1 is crucial for the antiviral state of cells, driven by its ability to transduce signals and activate transcription of interferon-stimulated genes.

Therapeutic significance:

STAT1 is intricately linked to several immunodeficiencies, including Immunodeficiency 31B, 31A, and 31C, highlighting its critical role in immune system function. Targeting STAT1 pathways offers promising avenues for treating these conditions by enhancing or modulating immune responses.