Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


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.


Our top-notch dedicated system is used to design specialised libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.


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
Q16602

UPID:
CALRL_HUMAN

ALTERNATIVE NAMES:
Calcitonin receptor-like receptor

ALTERNATIVE UPACC:
Q16602; A8K6G5; A8KAD3; Q53S02; Q53TS5

BACKGROUND:
The Calcitonin gene-related peptide type 1 receptor, alternatively named Calcitonin receptor-like receptor, is integral to the regulation of cardiovascular and lymphatic systems. It serves as a receptor for CGRP with RAMP1 and for adrenomedullin in combination with RAMP2 or RAMP3, facilitating G protein-mediated adenylyl cyclase activation.

THERAPEUTIC SIGNIFICANCE:
Given its association with Lymphatic malformation 8, characterized by severe lymphedema and fetal complications, the receptor presents a promising target for therapeutic intervention. Exploring its function could lead to groundbreaking treatments for lymphatic disorders.

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