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.
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 employ our advanced, specialised process to create 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UHB7
UPID:
AFF4_HUMAN
Alternative names:
ALL1-fused gene from chromosome 5q31 protein; Major CDK9 elongation factor-associated protein
Alternative UPACC:
Q9UHB7; B2RP19; B7WPD2; Q498B2; Q59FB3; Q6P592; Q8TDR1; Q9P0E4
Background:
AF4/FMR2 family member 4, also known as ALL1-fused gene from chromosome 5q31 protein, plays a pivotal role in the super elongation complex (SEC). This complex is essential for enhancing the RNA polymerase II transcription rate by mitigating transient pauses along the DNA. AFF4 serves as a scaffold within the SEC, facilitating the recruitment of ELL proteins and the P-TEFb complex. Its involvement is also noted in HIV-1 virus gene expression, prompted by the viral Tat protein.
Therapeutic significance:
AFF4's association with CHOPS syndrome, characterized by cognitive impairment, heart defects, and skeletal dysplasia, underscores its clinical relevance. Understanding the role of AFF4 could open doors to potential therapeutic strategies for this syndrome and other related conditions.