Molecular modeling of the human P2Y14 receptor: A template for structure-based design of selective agonist ligands was written by Trujillo, Kevin; Paoletta, Silvia; Kiselev, Evgeny; Jacobson, Kenneth A.. And the article was included in Bioorganic & Medicinal Chemistry on July 15,2015.Electric Literature of C15H23FN2O16P2 The following contents are mentioned in the article:
The P2Y14 receptor (P2Y14R) is a Gi protein-coupled receptor that is activated by uracil nucleotides UDP and UDP-glucose. The P2Y14R structure has yet to be solved through X-ray crystallog., but the recent agonist-bound crystal structure of the P2Y12R provides a potentially suitable template for its homol. modeling for rational structure-based design of selective and high-affinity ligands. In this study, we applied ligand docking and mol. dynamics refinement to a P2Y14R homol. model to qual. explain structure-activity relationships of previously published synthetic nucleotide analogs and to probe the quality of P2Y14R homol. modeling as a template for structure-based design. The P2Y14R model supports the hypothesis of a conserved binding mode of nucleotides in the three P2Y12-like receptors involving functionally conserved residues. We predict phosphate group interactions with R2536.55, K2777.35, Y2566.58 and Q2606.62, nucleobase (anti-conformation) π-π stacking with Y1023.33 and the role of F1915.42 as a means for selectivity among P2Y12-like receptors. The glucose moiety of UDP-glucose docked in a secondary subpocket at the P2Y14R homol. model. Thus, P2Y14R homol. modeling may allow detailed prediction of interactions to facilitate the design of high affinity, selective agonists as pharmacol. tools to study the P2Y14R. This study involved multiple reactions and reactants, such as Uridine 5′-(trihydrogen diphosphate) P’-(2-deoxy-2-fluoro-α-D-glucopyranosyl) ester (cas: 67341-43-9Electric Literature of C15H23FN2O16P2 ).
Uridine 5′-(trihydrogen diphosphate) P’-(2-deoxy-2-fluoro-α-D-glucopyranosyl) ester (cas: 67341-43-9) belongs to tetrahydrofuran derivatives. Tetrahydrofuran (THF) is a Lewis base that bonds to a variety of Lewis acids such as I2, phenols, triethylaluminum and bis(hexafluoroacetylacetonato)copper(II). THF (Tetrahydrofuran) is also used as a starting material for the synthesis of poly(tetramethylene ether) glycol (PTMG), etc.Electric Literature of C15H23FN2O16P2
67341-43-9;Uridine 5′-(trihydrogen diphosphate) P’-(2-deoxy-2-fluoro-α-D-glucopyranosyl) ester;The future of 67341-43-9;New trend of C15H23FN2O16P2 ;function of 67341-43-9