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.
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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P02818
UPID:
OSTCN_HUMAN
Alternative names:
Bone Gla protein; Gamma-carboxyglutamic acid-containing protein
Alternative UPACC:
P02818; Q5TCK6
Background:
Osteocalcin, also known as Bone Gla protein or Gamma-carboxyglutamic acid-containing protein, is a crucial bone matrix protein. It constitutes 1-2% of total bone protein, serving as a negative regulator of bone formation. This protein binds strongly to apatite and calcium, playing a pivotal role in bone metabolism by limiting bone formation without affecting bone resorption or mineralization.
Therapeutic significance:
Understanding the role of Osteocalcin could open doors to potential therapeutic strategies. Its hormone form, secreted by osteoblasts, influences various cellular processes including energy metabolism, male fertility, and brain development, highlighting its potential in treating metabolic disorders, infertility, and neurodegenerative diseases.