Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.
Our library stands out due to several important features:
partner
Reaxense
upacc
P40238
UPID:
TPOR_HUMAN
Alternative names:
Myeloproliferative leukemia protein; Proto-oncogene c-Mpl
Alternative UPACC:
P40238; Q5JUZ0
Background:
The Thrombopoietin receptor, also known as Myeloproliferative leukemia protein and Proto-oncogene c-Mpl, plays a pivotal role in blood cell development, specifically in megakaryopoiesis and platelet production. This receptor's interaction with thrombopoietin is crucial for the regulation of platelet numbers in the circulatory system.
Therapeutic significance:
Linked to diseases such as Congenital amegakaryocytic thrombocytopenia, Thrombocythemia 2, and Myelofibrosis with myeloid metaplasia, the Thrombopoietin receptor's dysfunction underscores its potential as a target for therapeutic intervention. Understanding its mechanisms offers promising avenues for treating these hematologic conditions.