Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q15021
UPID:
CND1_HUMAN
Alternative names:
Chromosome condensation-related SMC-associated protein 1; Chromosome-associated protein D2; Non-SMC condensin I complex subunit D2; XCAP-D2 homolog
Alternative UPACC:
Q15021; D3DUR4; Q8N6U3
Background:
Condensin complex subunit 1, also known as Chromosome condensation-related SMC-associated protein 1, plays a pivotal role in chromatin condensation during mitosis. It is essential for converting interphase chromatin into mitotic-like condensed chromosomes, facilitating accurate chromosome segregation.
Therapeutic significance:
Given its crucial role in neurogenesis and mitotic chromosome condensation, understanding the role of Condensin complex subunit 1 could open doors to potential therapeutic strategies for Microcephaly 21, a condition marked by reduced brain size and intellectual disability.