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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
A2IDD5
UPID:
CCD78_HUMAN
Alternative names:
hsCCDC78
Alternative UPACC:
A2IDD5; B4DNY4; B4E1U6; Q05BY7; Q05CA0; Q6T2V5; Q6ZR33; Q8IUR3; Q8NAY7; Q96S12
Background:
Coiled-coil domain-containing protein 78 (hsCCDC78) plays a pivotal role in cell biology as a component of the deuterosome. This structure is crucial for de novo centriole amplification in multiciliated cells, enabling the generation of over 100 centrioles. Its function is essential for centriole amplification and CEP152 localization, occurring in terminally differentiated multiciliated cells outside of the S phase.
Therapeutic significance:
The association of hsCCDC78 with Myopathy, centronuclear, 4, a congenital muscle disorder, underscores its clinical importance. Understanding the role of hsCCDC78 could open doors to potential therapeutic strategies for this progressive muscular weakness and wasting disease.