Focused On-demand Library for Lactotransferrin

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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 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

P02788

UPID:

TRFL_HUMAN

Alternative names:

Growth-inhibiting protein 12; Talalactoferrin

Alternative UPACC:

P02788; A8K9U8; B2MV13; B7Z4X2; E7EQH5; O00756; Q16780; Q16785; Q16786; Q16789; Q5DSM0; Q8IU92; Q8IZH6; Q8TCD2; Q96KZ4; Q96KZ5; Q9H1Z3; Q9UCY5

Background:

Lactotransferrin, also known as Growth-inhibiting protein 12 or Talalactoferrin, is a pivotal iron-binding transport protein. It plays a crucial role in iron homeostasis by binding iron ions in conjunction with an anion, typically bicarbonate. Beyond its primary function, Lactotransferrin exhibits a broad spectrum of biological activities, including antimicrobial, antiviral, and antifungal properties, alongside promoting bone growth, inhibiting viral infections, and modulating immune responses.

Therapeutic significance:

Understanding the role of Lactotransferrin could open doors to potential therapeutic strategies. Its ability to inhibit microbial growth, support bone development, and modulate immune responses positions it as a target for therapeutic intervention in a range of conditions.