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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P53990
UPID:
IST1_HUMAN
Alternative names:
Charged multivesicular body protein 8; Putative MAPK-activating protein PM28
Alternative UPACC:
P53990; A8KAH5; J3QLU7; Q3SYM4; Q9BQ81; Q9BWN2
Background:
IST1 homolog, also known as Charged multivesicular body protein 8 and Putative MAPK-activating protein PM28, plays a pivotal role in cellular processes such as cytokinesis, nuclear envelope reassembly, and endosomal tubulation. It is essential for efficient abscission during cytokinesis by recruiting VPS4A and/or VPS4B to the midbody of dividing cells. Furthermore, IST1 is involved in nuclear envelope reassembly and mitotic spindle disassembly by mediating the recruitment of SPAST to the nuclear membrane. It also regulates early endosomal tubulation by collaborating with the ESCRT-III complex.
Therapeutic significance:
Understanding the role of IST1 homolog could open doors to potential therapeutic strategies.