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 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.
The library 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96NT5
UPID:
PCFT_HUMAN
Alternative names:
Heme carrier protein 1; PCFT/HCP1; Solute carrier family 46 member 1
Alternative UPACC:
Q96NT5; Q1HE20; Q86T92; Q8TEG3; Q96FL0
Background:
The Proton-coupled Folate Transporter (PCFT/HCP1), encoded by the gene with accession number Q96NT5, is pivotal in mediating folate absorption in the intestine and its transport across the blood-brain barrier. This protein operates using a proton gradient, facilitating the intake of folates at acidic pH levels. It also transports antifolate drugs like methotrexate, crucial for treating cancer and autoimmune diseases, and serves as a heme carrier in various tissues.
Therapeutic significance:
Hereditary folate malabsorption, a rare autosomal recessive disorder, is directly linked to mutations affecting PCFT/HCP1. This condition leads to severe folate deficiency, resulting in anemia, immune deficiencies, and neurological issues. Early diagnosis and folate administration can mitigate, if not prevent, fatal outcomes and irreversible neurological damage, highlighting the critical therapeutic importance of understanding and targeting PCFT/HCP1.