Focused On-demand Library for Nuclear factor NF-kappa-B p100 subunit

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q00653

UPID:

NFKB2_HUMAN

Alternative names:

DNA-binding factor KBF2; H2TF1; Lymphocyte translocation chromosome 10 protein; Nuclear factor of kappa light polypeptide gene enhancer in B-cells 2; Oncogene Lyt-10

Alternative UPACC:

Q00653; A8K9D9; D3DR83; Q04860; Q9BU75; Q9H471; Q9H472

Background:

The Nuclear factor NF-kappa-B p100 subunit, known by alternative names such as DNA-binding factor KBF2 and Oncogene Lyt-10, plays a pivotal role in immune response, inflammation, and cell differentiation. It is part of the NF-kappa-B family, which acts as a transcription factor involved in various biological processes. The protein exists in different forms, including p100 and its processed form p52, each binding to specific DNA sequences to regulate gene expression.

Therapeutic significance:

Given its crucial role in immune response and inflammation, the Nuclear factor NF-kappa-B p100 subunit is implicated in Immunodeficiency, common variable, 10, a disease characterized by recurrent infections and autoimmune features. Targeting this protein could offer novel therapeutic approaches for managing this immunodeficiency and potentially other related autoimmune disorders.