Focused On-demand Library for E3 ubiquitin-protein ligase SIAH1

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8IUQ4

UPID:

SIAH1_HUMAN

Alternative names:

RING-type E3 ubiquitin transferase SIAH1; Seven in absentia homolog 1; Siah-1a

Alternative UPACC:

Q8IUQ4; A0FKF3; O43269; Q49A58; Q92880

Background:

E3 ubiquitin-protein ligase SIAH1, also known as Seven in absentia homolog 1, plays a pivotal role in ubiquitination and proteasomal degradation of target proteins. This process is crucial for regulating various cellular functions, including apoptosis, tumor suppression, and transcription regulation. SIAH1's ability to mediate ubiquitin ligase activity, either through direct substrate binding or as part of larger E3 complexes, underscores its significance in cellular homeostasis.

Therapeutic significance:

SIAH1's involvement in Buratti-Harel syndrome, a neurodevelopmental disorder, highlights its potential as a therapeutic target. Understanding the role of E3 ubiquitin-protein ligase SIAH1 could open doors to potential therapeutic strategies for managing this condition and possibly other related disorders.