Focused On-demand Library for Sterol carrier protein 2

Focused On-demand Libraries - Reaxense 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. Our partner 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 high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

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.