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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q92633
UPID:
LPAR1_HUMAN
Alternative names:
Lysophosphatidic acid receptor Edg-2
Alternative UPACC:
Q92633; B4DK36; O00656; O00722; P78351
Background:
Lysophosphatidic acid receptor 1 (LPA1), also known as Edg-2, is a crucial receptor for lysophosphatidic acid (LPA). It plays a pivotal role in actin cytoskeleton reorganization, cell migration, differentiation, and proliferation. LPA1 activation triggers multiple signaling pathways, including G(i)/G(o), G(12)/G(13), and G(q) families, leading to various cellular responses such as decreased cAMP levels, increased cytoplasmic Ca(2+) levels, and activation of MAP kinases. It is essential for normal brain development, skeleton development, and the regulation of cell shape.
Therapeutic significance:
Understanding the role of Lysophosphatidic acid receptor 1 could open doors to potential therapeutic strategies.