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:
partner
Reaxense
upacc
O43435
UPID:
TBX1_HUMAN
Alternative names:
Testis-specific T-box protein
Alternative UPACC:
O43435; C6G493; C6G494; O43436; Q96RJ2
Background:
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.