AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sterol carrier protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

We employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

P22307

UPID:

SCP2_HUMAN

Alternative names:

Acetyl-CoA C-myristoyltransferase; Non-specific lipid-transfer protein; Propanoyl-CoA C-acyltransferase; SCP-2/3-oxoacyl-CoA thiolase; SCP-2/thiolase; SCP-chi; SCPX; Sterol carrier protein X

Alternative UPACC:

P22307; A6NM69; B4DGJ9; B4DHP6; C9JC79; D3DQ37; E1B6W5; F2Z3J1; Q15432; Q16622; Q5VVZ1; Q6NXF4; Q99430

Background:

Sterol carrier protein 2 (SCP2), also known by alternative names such as Acetyl-CoA C-myristoyltransferase and Non-specific lipid-transfer protein, plays a pivotal role in lipid metabolism. It is crucial in the peroxisomal oxidation of branched-chain fatty acids and the metabolism of cholesterol, phospholipids, and gangliosides. SCP2's involvement in transferring these lipids between cellular membranes highlights its significance in cellular lipid homeostasis.

Therapeutic significance:

SCP2's link to Leukoencephalopathy with dystonia and motor neuropathy, a syndrome characterized by neurological and motor symptoms, underscores its therapeutic potential. Understanding SCP2's role could pave the way for innovative treatments targeting this debilitating disease, emphasizing the importance of research in this area.

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