Focused On-demand Library for Hepatocyte nuclear factor 1-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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P35680

UPID:

HNF1B_HUMAN

Alternative names:

Homeoprotein LFB3; Transcription factor 2; Variant hepatic nuclear factor 1

Alternative UPACC:

P35680; B4DKM3; E0YMJ9

Background:

Hepatocyte nuclear factor 1-beta (HNF1B), also known as Homeoprotein LFB3, Transcription factor 2, and Variant hepatic nuclear factor 1, is a pivotal transcription factor. It binds to specific DNA sequences, influencing the expression of genes involved in developmental processes, including renal and genital tract development. Its activity is modulated by coactivators such as PCBD1, highlighting its complex role in cellular function.

Therapeutic significance:

HNF1B is implicated in several diseases, including Renal cysts and diabetes syndrome (MODY5), Type 2 diabetes mellitus, and hereditary Prostate cancer. These associations underline the protein's critical role in metabolic and developmental pathways, offering a promising target for therapeutic intervention in these conditions.