Focused On-demand Library for Transcobalamin-1

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
P20061

UPID:
TCO1_HUMAN

ALTERNATIVE NAMES:
Haptocorrin; Protein R; Transcobalamin I

ALTERNATIVE UPACC:
P20061; A8KAC5; Q8WV77

BACKGROUND:
Transcobalamin-1, known by alternative names such as Haptocorrin and Transcobalamin I, is pivotal in the protection and transport of vitamin B12. By binding to vitamin B12 with exceptional affinity, it shields the vitamin from stomach acid, facilitating its safe passage and absorption in the intestines. This protein's unique ability underscores its importance in the vitamin B12 metabolic pathway.

THERAPEUTIC SIGNIFICANCE:
The exploration of Transcobalamin-1's function offers promising avenues for therapeutic development. Given its indispensable role in vitamin B12 metabolism, insights into Transcobalamin-1 could lead to breakthroughs in treating or managing diseases associated with vitamin B12 malabsorption or deficiency. The potential for developing targeted therapies that enhance or mimic its function could significantly impact public health.

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