Focused On-demand Library for Multicilin

Focused On-demand Libraries - Reaxense Collaboration

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

D6RGH6

UPID:

MCIN_HUMAN

Alternative names:

Multiciliate differentiation and DNA synthesis-associated cell cycle protein; Protein Idas

Alternative UPACC:

D6RGH6; C9JGY3; D6R920; F8KGQ8

Background:

Multicilin, known alternatively as Multiciliate differentiation and DNA synthesis-associated cell cycle protein or Protein Idas, plays a pivotal role in multiciliate cell differentiation. It is part of a complex with E2F4 and E2F5, activating genes essential for centriole biogenesis and the acentriolar pathway. Additionally, it influences mitotic cell cycle progression and modulates GMNN activity, impacting CDT1 affinity.

Therapeutic significance:

Linked to Ciliary dyskinesia, primary, 42, a disorder marked by motile cilia abnormalities leading to respiratory infections and potentially infertility and hydrocephalus, Multicilin's study could pave the way for innovative treatments targeting these cilia-related conditions.