Focused On-demand Library for General transcription and DNA repair factor IIH helicase subunit XPB

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

P19447

UPID:

ERCC3_HUMAN

Alternative names:

Basic transcription factor 2 89 kDa subunit; DNA excision repair protein ERCC-3; DNA repair protein complementing XP-B cells; TFIIH basal transcription factor complex 89 kDa subunit; Xeroderma pigmentosum group B-complementing protein

Alternative UPACC:

P19447; Q53QM0

Background:

The General transcription and DNA repair factor IIH helicase subunit XPB, encoded by the gene P19447, plays a pivotal role in DNA repair and transcription. As part of the TFIIH core complex, it is crucial for nucleotide excision repair (NER) and RNA transcription by RNA polymerase II. Its ATP-dependent 3'-5' DNA helicase activity facilitates the opening of DNA around lesions for repair and is essential for transcription initiation.

Therapeutic significance:

Given its involvement in Xeroderma pigmentosum complementation group B and Trichothiodystrophy 2, photosensitive, understanding the role of General transcription and DNA repair factor IIH helicase subunit XPB could open doors to potential therapeutic strategies. Targeting its function in DNA repair and transcription initiation offers a promising avenue for treating these genetic disorders.