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.
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 employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P84074
UPID:
HPCA_HUMAN
Alternative names:
Calcium-binding protein BDR-2
Alternative UPACC:
P84074; B2R9T3; D3DPQ7; P32076; P41211; P70510
Background:
Neuron-specific calcium-binding protein hippocalcin, also known as Calcium-binding protein BDR-2, plays a crucial role in the regulation of voltage-dependent calcium channels. Its involvement in cyclic-nucleotide-mediated signaling, through the regulation of adenylate and guanylate cyclases, underscores its significance in neuronal function.
Therapeutic significance:
Hippocalcin is linked to Dystonia 2, a progressive disease characterized by involuntary muscle contractions and abnormal postures. Understanding the role of hippocalcin could open doors to potential therapeutic strategies for this debilitating condition.