Three-Dimensional Quantitative Structure-Activity Relationship Analyses of 尾-Lactam Antibiotics and Tripeptides as Substrates of the Mammalian H+/Peptide Cotransporter PEPT1 was written by Biegel, Annegret;Gebauer, Sabine;Hartrodt, Bianka;Brandsch, Matthias;Neubert, Klaus;Thondorf, Iris. And the article was included in Journal of Medicinal Chemistry in 2005.Related Products of 86069-86-5 The following contents are mentioned in the article:
The utilization of the membrane transport protein PEPT1 as a drug delivery system is a promising strategy to enhance the oral bioavailability of drugs. Since very little is known about the substrate binding site of PEPT1, computational methods are a meaningful tool to gain a more detailed insight into the structural requirements for substrates. Three-dimensional quant. structure-activity relationship (3D-QSAR) studies using the comparative mol. similarity indexes anal. (Co-MSIA) method were performed on a training set of 98 compounds Affinity constants of 尾-lactam antibiotics and tripeptides were determined at Caco-2 cells. A statistically reliable model of high predictive power was obtained (q2 = 0.828, r2 = 0.937). The results derived from Co-MSIA were graphically interpreted using different field contribution maps. The authors identified those regions which are crucial for the interaction between peptidomimetics and PEPT1. The new 3D-QSAR model was used to design a new druglike compound mimicking a dipeptide. The predicted Ki value was confirmed exptl. This study involved multiple reactions and reactants, such as (S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid (cas: 86069-86-5Related Products of 86069-86-5).
(S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid (cas: 86069-86-5) belongs to piperidine derivatives. Piperidine and its derivatives have become increasingly popular in many synthetic schemes. Piperidine prefers a chair conformation, similar to cyclohexane. Unlike cyclohexane, piperidine has two distinguishable chair conformations: one with the N鈥揌 bond in an axial position, and the other in an equatorial position.Related Products of 86069-86-5
Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem