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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O00358
UPID:
FOXE1_HUMAN
Alternative names:
Forkhead box protein E2; Forkhead-related protein FKHL15; HFKH4; HNF-3/fork head-like protein 5; Thyroid transcription factor 2
Alternative UPACC:
O00358; O75765; Q5T109; Q99526
Background:
Forkhead box protein E1, also known as Forkhead box protein E2 and Thyroid transcription factor 2, plays a pivotal role in transcription regulation, palate formation, and thyroid gland morphogenesis. It activates gene promoters, including MSX1 and TGFB3, essential for developmental processes.
Therapeutic significance:
Linked to Bamforth-Lazarus syndrome and non-medullary thyroid cancer, Forkhead box protein E1's understanding could pave the way for innovative treatments targeting these conditions through gene regulation and developmental pathway modulation.