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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8IUX4
UPID:
ABC3F_HUMAN
Alternative names:
Apolipoprotein B mRNA-editing enzyme catalytic polypeptide-like 3F
Alternative UPACC:
Q8IUX4; B0QYD4; Q45F03; Q6ICH3; Q7Z2N2; Q7Z2N5
Background:
The DNA dC->dU-editing enzyme APOBEC-3F, also known as Apolipoprotein B mRNA-editing enzyme catalytic polypeptide-like 3F, plays a pivotal role in inhibiting retrovirus replication and retrotransposon mobility. It achieves this through both deaminase-dependent and independent mechanisms, targeting single-stranded DNA to induce G-to-A hypermutations in viral DNA, which hampers the replication of viruses such as HIV-1, HIV-2, hepatitis B, and others.
Therapeutic significance:
Understanding the role of DNA dC->dU-editing enzyme APOBEC-3F could open doors to potential therapeutic strategies, especially in the realm of antiviral therapies. Its unique mechanism of inducing mutations in viral DNA presents a novel target for drug development, offering hope for treatments against a range of retroviruses.