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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NVV0
UPID:
TM38B_HUMAN
Alternative names:
Transmembrane protein 38B
Alternative UPACC:
Q9NVV0; Q5JR63; Q5SVN5; Q5SVN6; Q5VTE2; Q6IA97
Background:
The Trimeric intracellular cation channel type B, also known as Transmembrane protein 38B, plays a crucial role in cellular processes by acting as a monovalent cation channel. It is essential for the rapid release of intracellular calcium, potentially functioning alongside calcium release from intracellular stores as a potassium counter-ion channel.
Therapeutic significance:
Osteogenesis imperfecta 14, a connective tissue disorder marked by bone fragility, is linked to mutations affecting this protein. Understanding the role of Trimeric intracellular cation channel type B could open doors to potential therapeutic strategies for managing and treating this condition.