Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P00973
UPID:
OAS1_HUMAN
Alternative names:
E18/E16; p46/p42 OAS
Alternative UPACC:
P00973; A8K4N8; F8VXY3; P04820; P29080; P29081; P78485; P78486; Q16700; Q16701; Q1PG42; Q3ZM01; Q53GC5; Q53YA4; Q6A1Z3; Q6IPC6; Q6P7N9; Q96J61
Background:
2'-5'-oligoadenylate synthase 1, known as E18/E16 or p46/p42 OAS, plays a pivotal role in the innate antiviral response. It synthesizes 2'-5'-oligoadenylates (2-5A) that activate RNase L, leading to viral and cellular RNA degradation. This enzyme is crucial for halting viral replication and is involved in apoptosis, cell growth, differentiation, and gene regulation. Its activity against viruses like VSV, HSV-2, and EMCV highlights its broad antiviral spectrum.
Therapeutic significance:
Given its role in Immunodeficiency 100 with pulmonary alveolar proteinosis and hypogammaglobulinemia, targeting 2'-5'-oligoadenylate synthase 1 offers a promising avenue for therapeutic intervention. Understanding its function could pave the way for novel treatments for viral infections and immune disorders.