AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Natural resistance-associated macrophage protein 2

Available from Reaxense
Predicted by Alphafold

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

Our top-notch dedicated system is used to design specialised 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 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

Reaxense

upacc

P49281

UPID:

NRAM2_HUMAN

Alternative names:

Divalent cation transporter 1; Divalent metal transporter 1; Solute carrier family 11 member 2

Alternative UPACC:

P49281; B3KT08; B4DK84; F5H741; O43288; O60932; O94801; Q498Z5; Q8IUD7; Q96J35

Background:

Natural resistance-associated macrophage protein 2 (NRAMP2), also known as Divalent metal transporter 1 (DMT1), plays a crucial role in iron homeostasis. It functions as a proton-coupled metal ion symporter with a preference for divalent cations such as Fe(2+) and Mn(2+). NRAMP2 is pivotal in modulating intestinal absorption of dietary iron and endosomal iron transport in erythroid precursors, contributing to mitochondrial heme synthesis and antioxidant defense.

Therapeutic significance:

NRAMP2's involvement in Anemia, hypochromic microcytic, with iron overload 1, underscores its therapeutic potential. Understanding NRAMP2's role could open doors to novel therapeutic strategies for managing iron metabolism disorders, offering hope for patients suffering from related hematologic conditions.

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