Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 use our state-of-the-art dedicated workflow for designing 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y294
UPID:
ASF1A_HUMAN
Alternative names:
Anti-silencing function protein 1 homolog A; CCG1-interacting factor A
Alternative UPACC:
Q9Y294; Q6IA08; Q9P014
Background:
Histone chaperone ASF1A, also known as Anti-silencing function protein 1 homolog A and CCG1-interacting factor A, plays a pivotal role in nucleosome assembly and disassembly. It facilitates histone deposition, exchange, and removal, cooperating with chromatin assembly factor 1 (CAF-1) and HIRA for chromatin assembly. ASF1A is crucial in homologous recombination-mediated repair of double-strand breaks at stalled or collapsed replication forks by mediating histone replacement, leading to recruitment of the MMS22L-TONSL complex and RAD51 loading. It also aids in the nuclear import of the histone H3-H4 dimer, recognizing specific histone modifications.
Therapeutic significance:
Understanding the role of Histone chaperone ASF1A could open doors to potential therapeutic strategies.