Focused On-demand Library for T-box transcription factor TBX1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.

Our high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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.







Alternative names:

Testis-specific T-box protein

Alternative UPACC:

O43435; C6G493; C6G494; O43436; Q96RJ2


T-box transcription factor TBX1, also known as Testis-specific T-box protein, is pivotal in cardiovascular development, particularly in pharyngeal arch segmentation during embryonic growth. It collaborates with NKX2-5 to regulate asymmetric cardiac morphogenesis through the promotion of PITX2 expression and is essential for craniofacial muscle development, thymus, and parathyroid glands formation from the third pharyngeal pouch. TBX1 binds to specific DNA sequences to execute its functions.

Therapeutic significance:

TBX1's mutation or dysfunction is linked to several congenital disorders, including DiGeorge syndrome, Velocardiofacial syndrome, Conotruncal heart malformations, and Tetralogy of Fallot. These conditions underscore the protein's critical role in heart and facial development. Understanding TBX1's mechanisms offers a promising avenue for developing targeted therapies for these complex syndromes.

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