Focused On-demand Library for KH domain-containing protein 3

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q587J8

UPID:

KHDC3_HUMAN

Alternative names:

ES cell-associated transcript 1 protein; KHDC3-like protein

Alternative UPACC:

Q587J8; B2RNW7

Background:

KH domain-containing protein 3, also known as ES cell-associated transcript 1 protein or KHDC3-like protein, plays a pivotal role in DNA repair, embryonic cell division, and neural stem cell neurogenesis. It is crucial for the restart of stalled replication forks, homologous recombination-mediated DNA repair, and the maintenance of euploidy during embryogenesis. This protein also regulates actin dynamics, spindle assembly, and neuronal differentiation.

Therapeutic significance:

The association of KH domain-containing protein 3 with Hydatidiform mole, recurrent, 2, a disorder marked by abnormal pregnancies, underscores its potential as a target for therapeutic intervention. Understanding the role of KH domain-containing protein 3 could open doors to potential therapeutic strategies.