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.
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.
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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q92574
UPID:
TSC1_HUMAN
Alternative names:
Tuberous sclerosis 1 protein
Alternative UPACC:
Q92574; B7Z897; Q5VVN5
Background:
Hamartin, also known as Tuberous sclerosis 1 protein, plays a pivotal role in cellular processes by forming a complex with TSC2 to inhibit mTORC1 signaling, which is crucial for cell growth and proliferation. This protein is also involved in microtubule-mediated protein transport and acts as a co-chaperone for HSP90AA1, influencing the chaperoning of various protein clients.
Therapeutic significance:
Hamartin's involvement in diseases such as Tuberous sclerosis 1, Lymphangioleiomyomatosis, and Focal cortical dysplasia 2, highlights its potential as a target for therapeutic intervention. Understanding the role of Hamartin could open doors to potential therapeutic strategies for these complex disorders.