Available from Reaxense
This protein is integrated into the Receptor.AI ecosystem as a prospective target with high therapeutic potential. We performed a comprehensive characterization of Large neutral amino acids transporter small subunit 1 including:
1. LLM-powered literature research
Our custom-tailored LLM extracted and formalized all relevant information about the protein from a large set of structured and unstructured data sources and stored it in the form of a Knowledge Graph. This comprehensive analysis allowed us to gain insight into Large neutral amino acids transporter small subunit 1 therapeutic significance, existing small molecule ligands, relevant off-targets, and protein-protein interactions.
Fig. 1. Preliminary target research workflow
2. AI-Driven Conformational Ensemble Generation
Starting from the initial protein structure, we employed advanced AI algorithms to predict alternative functional states of Large neutral amino acids transporter small subunit 1, including large-scale conformational changes along "soft" collective coordinates. Through molecular simulations with AI-enhanced sampling and trajectory clustering, we explored the broad conformational space of the protein and identified its representative structures. Utilizing diffusion-based AI models and active learning AutoML, we generated a statistically robust ensemble of equilibrium protein conformations that capture the receptor's full dynamic behavior, providing a robust foundation for accurate structure-based drug design.
Fig. 2. AI-powered molecular dynamics simulations workflow
3. Binding pockets identification and characterization
We employed the AI-based pocket prediction module to discover orthosteric, allosteric, hidden, and cryptic binding pockets on the protein’s surface. Our technique integrates the LLM-driven literature search and structure-aware ensemble-based pocket detection algorithm that utilizes previously established protein dynamics. Tentative pockets are then subject to AI scoring and ranking with simultaneous detection of false positives. In the final step, the AI model assesses the druggability of each pocket enabling a comprehensive selection of the most promising pockets for further targeting.
Fig. 3. AI-based binding pocket detection workflow
4. AI-Powered Virtual Screening
Our ecosystem is equipped to perform AI-driven virtual screening on Large neutral amino acids transporter small subunit 1. With access to a vast chemical space and cutting-edge AI docking algorithms, we can rapidly and reliably predict the most promising, novel, diverse, potent, and safe small molecule ligands of Large neutral amino acids transporter small subunit 1. This approach allows us to achieve an excellent hit rate and to identify compounds ready for advanced lead discovery and optimization.
Fig. 4. The screening workflow of Receptor.AI
Receptor.AI, in partnership with Reaxense, developed a next-generation technology for on-demand focused library design to enable extensive target exploration.
The focused library for Large neutral amino acids transporter small subunit 1 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Large neutral amino acids transporter small subunit 1
partner:
Reaxense
upacc:
Q01650
UPID:
LAT1_HUMAN
Alternative names:
4F2 light chain; CD98 light chain; Integral membrane protein E16; L-type amino acid transporter 1; Solute carrier family 7 member 5; y+ system cationic amino acid transporter
Alternative UPACC:
Q01650; Q8IV97; Q9UBN8; Q9UP15; Q9UQC0
Background:
Large neutral amino acids transporter small subunit 1, also known as Solute carrier family 7 member 5 (SLC7A5), plays a pivotal role in cellular functions by mediating the uptake of large neutral amino acids, including phenylalanine, tyrosine, and leucine. It forms a heterodimer with SLC3A2, facilitating the transport of amino acids, thyroid hormones, and even toxic substances like methylmercury across cell membranes. Its involvement in mTORC1 activation and amino acid exchange underscores its critical biological functions.
Therapeutic significance:
Understanding the role of Large neutral amino acids transporter small subunit 1 could open doors to potential therapeutic strategies. Its key function in amino acid transport and mTORC1 signaling activation, especially in the context of hepatitis C virus propagation, highlights its potential as a target for therapeutic intervention.