Focused On-demand Library for Pituitary homeobox 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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

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

P78337

UPID:

PITX1_HUMAN

Alternative names:

Hindlimb-expressed homeobox protein backfoot; Homeobox protein PITX1; Paired-like homeodomain transcription factor 1

Alternative UPACC:

P78337; A8K3M0; D3DQB0; O14677; O60425; Q9BTI5

Background:

Pituitary homeobox 1 (PITX1), also known as Hindlimb-expressed homeobox protein backfoot and Paired-like homeodomain transcription factor 1, is a sequence-specific transcription factor crucial for anterior structures development, including the brain and facies, and specifying hindlimb identity or structure.

Therapeutic significance:

PITX1's involvement in congenital clubfoot and Liebenberg syndrome, through gene variants and chromosomal aberrations, highlights its critical role in limb development. Understanding PITX1's function could pave the way for innovative therapeutic strategies targeting these limb malformation syndromes.