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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P07949
UPID:
RET_HUMAN
Alternative names:
Cadherin family member 12; Proto-oncogene c-Ret
Alternative UPACC:
P07949; A8K6Z2; Q15250; Q9BTB0; Q9H4A2
Background:
The Proto-oncogene tyrosine-protein kinase receptor Ret, also known as Cadherin family member 12, plays a pivotal role in cell proliferation, neuronal navigation, cell migration, and differentiation. It is crucial for organogenesis, including the development of the enteric nervous system and kidneys, and modulates cell adhesion and migration in an integrin-dependent manner.
Therapeutic significance:
Ret's involvement in diseases such as Colorectal cancer, Hirschsprung disease 1, Medullary thyroid carcinoma, Multiple neoplasia 2B, Pheochromocytoma, and Multiple neoplasia 2A highlights its potential as a therapeutic target. Understanding Ret's role could lead to novel treatments for these conditions.