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

Details

Focused On-demand Libraries - Receptor.AI 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.


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 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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P18074

UPID:
ERCC2_HUMAN

ALTERNATIVE NAMES:
Basic transcription factor 2 80 kDa subunit; CXPD; DNA excision repair protein ERCC-2; DNA repair protein complementing XP-D cells; TFIIH basal transcription factor complex 80 kDa subunit; Xeroderma pigmentosum group D-complementing protein

ALTERNATIVE UPACC:
P18074; Q2TB78; Q2YDY2; Q7KZU6; Q8N721

BACKGROUND:
General transcription and DNA repair factor IIH helicase subunit XPD, alternatively named DNA excision repair protein ERCC-2, is integral to the transcription-coupled nucleotide excision repair (NER) of damaged DNA and RNA transcription by RNA polymerase II. As part of the TFIIH complex, XPD's helicase activity is essential for promoter opening and DNA lesion repair, playing a vital role in maintaining genomic stability and proper cellular function.

THERAPEUTIC SIGNIFICANCE:
The involvement of XPD in critical genetic disorders, including Xeroderma pigmentosum, Trichothiodystrophy, and Cerebro-oculo-facio-skeletal syndrome, highlights its potential as a target for therapeutic intervention. Understanding the role of XPD could open doors to potential therapeutic strategies, offering hope for patients suffering from these severe conditions. The protein's central role in DNA repair and transcription presents a promising avenue for drug discovery and development.

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