Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 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.