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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O00631
UPID:
SARCO_HUMAN
Alternative names:
-
Alternative UPACC:
O00631; Q6ICV3
Background:
Sarcolipin plays a crucial role in muscle physiology by modulating the activity of ATP2A1 and ATP2A2, enzymes critical for calcium homeostasis in the sarcoplasmic reticulum. This regulation is essential for muscle relaxation and thermogenesis, highlighting sarcolipin's importance in muscle function and energy metabolism.
Therapeutic significance:
Understanding the role of Sarcolipin could open doors to potential therapeutic strategies. Its pivotal function in calcium regulation and muscle relaxation positions it as a key target for addressing muscle-related disorders and enhancing metabolic health.