Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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
P11309
UPID:
PIM1_HUMAN
Alternative names:
-
Alternative UPACC:
P11309; Q38RT9; Q5T7H7; Q96RG3
Background:
Serine/threonine-protein kinase pim-1, encoded by the PIM1 gene, plays a pivotal role in cell survival, proliferation, and tumorigenesis. It regulates MYC transcriptional activity, cell cycle progression, and inhibits proapoptotic proteins, thereby promoting oncogenic activity. PIM1's involvement in phosphorylating and stabilizing MYC, BAD, MAP3K5, and FOXO3 underscores its critical function in cellular mechanisms. Additionally, it influences cell cycle transitions by targeting CDC25A, CDC25C, and CDKN1A, and modulates CDKN1B levels to favor tumorigenesis.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase pim-1 could open doors to potential therapeutic strategies. Its ability to regulate key oncogenic pathways and cell survival mechanisms positions it as a promising target for cancer therapy. Inhibiting PIM1 activity could disrupt cancer cell proliferation and survival, offering a novel approach to cancer treatment.