The relationship between ectopic neurotensin expression (NTS) and tumor carcinoma invasion has produced studies that point to allosteric modulation of the regular NTR1 receptor. The use of quinazoline-derived drugs has shown excellent results in the regulation of the biological process mentioned. This study aims to establish the relationship between the electronic structure of quinazoline derivatives and the biological activity (expressed as EC50) that process in the NTR1 receptor, to propose a 2D pharmacophore. For this purpose, the Klopman-Peradejordi-Gómez (KPG) methodology was used. Calculations are included within the functional density theory (DFT) using the B3LYP / 631G theory level (d, p). The results concerning the biological activity are mainly driven by the interactions at the orbitalorbital level and by charges. These results can be used to propose new quinazoline derivatives with a better response in allosteric modulation of the NTR1 receptor.

Synthetic Studies on Indole Alkaloids. Part 8. Synthesis and Reactivity of Asymmetric 2-Indolyl-4-methylenepiperidines.-A series of diastereomeric chiral piperidines such as (III) and (IV), ( VIII) and (IX), (XI) and (XII), and (XIV) and (XV), are prepared by the general allylsilane methodology. Attempts to prepare chiral (XVIII) by cyclization of the piperidines (III) or (IV) fail. Analogous cyclization of (VIII) leads to (XVI), which on acid treatment affords the C-7a epimer (XVII) and not the expected (XVIII). -(MIGUEL, D.; DIEZ, A.; BLACHE, Y.; LUQUE, J.; OROZCO, M.; REMUSON, R.; GELAS-MIALHE, Y.; RUBIRALTA, M.; Tetrahedron 51 (1995)