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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 for receptors.
Fig. 1. The sreening workflow of Receptor.AI
The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.
Our library stands out due to several important features:
partner
Reaxense
upacc
P32239
UPID:
GASR_HUMAN
Alternative names:
Cholecystokinin-2 receptor
Alternative UPACC:
P32239; A8K7P9; O75824; Q16144; Q92492; Q96LC6; Q9NYK7; Q9UBV1
Background:
The Gastrin/cholecystokinin type B receptor, also known as the Cholecystokinin-2 receptor, plays a pivotal role in various physiological processes. It functions as a receptor for gastrin and cholecystokinin, influencing anxiety, analgesia, arousal, and neuroleptic activity in the central nervous system. Additionally, it activates a phosphatidylinositol-calcium second messenger system through G proteins.
Therapeutic significance:
Understanding the role of the Gastrin/cholecystokinin type B receptor could open doors to potential therapeutic strategies. Its involvement in modulating key neurological functions and possibly regulating cancer cell proliferation via a gastrin-independent mechanism highlights its significance in therapeutic applications.