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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P42345
UPID:
MTOR_HUMAN
Alternative names:
FK506-binding protein 12-rapamycin complex-associated protein 1; FKBP12-rapamycin complex-associated protein; Mammalian target of rapamycin; Mechanistic target of rapamycin; Rapamycin and FKBP12 target 1; Rapamycin target protein 1
Alternative UPACC:
P42345; Q4LE76; Q5TER1; Q6LE87; Q96QG3; Q9Y4I3
Background:
Serine/threonine-protein kinase mTOR, also known as the mechanistic target of rapamycin, plays a pivotal role in cellular metabolism, growth, and survival. This protein is a central regulator, responding to various signals such as hormones, growth factors, and stress. mTOR functions through two distinct complexes, mTORC1 and mTORC2, influencing over 800 proteins through direct or indirect phosphorylation.
Therapeutic significance:
mTOR's involvement in diseases like Smith-Kingsmore syndrome and Focal cortical dysplasia 2 highlights its therapeutic potential. Targeting mTOR pathways could offer new strategies for treating these conditions, emphasizing the importance of understanding mTOR's role in disease mechanisms.