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 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O75364
UPID:
PITX3_HUMAN
Alternative names:
Homeobox protein PITX3; Paired-like homeodomain transcription factor 3
Alternative UPACC:
O75364; Q5VZL2
Background:
Pituitary homeobox 3 (PITX3), also known as Homeobox protein PITX3 and Paired-like homeodomain transcription factor 3, plays a pivotal role in the development and maintenance of meso-diencephalic dopaminergic neurons. It activates essential genes for neuron development and regulates lens development and differentiation, crucial for eye health.
Therapeutic significance:
PITX3's involvement in anterior segment dysgenesis 1 and Cataract 11, multiple types, underscores its therapeutic potential. Understanding PITX3's role could open doors to innovative treatments for these eye conditions.