PENANDAAN LIGAN N,N’-BIS(SALISILIDEN)-1,2-ETILENDIAMIN DAN N,N’-BIS(SALISILIDEN)-1,3-PROPANDIAMIN DENGAN RADIOISOTOP LU-177 DAN STUDI REAKSINYA SECARA IN SILICO

• Main Author: Bifadhlilah, Udin
• Format: Final Project
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/44754
• Institution: Institut Teknologi Bandung

&????&’-bis(salicylidene)-1,2-ethylenediamine (H2?ª?±?) ª?¸ &????&’-bis(salicylidene)-1,3-propandiamine (H2salpn) are electron donating tetradentate ligands via nitrogen and oxygen atoms (N2O2) which are class of Schiff base compounds. The complex of Schiff base ligand with metallic atom are widely applied in catalyst synthesis, development of antibiotics, anticancer, or as a radiopharmaceutical ligand. Lu-177 has beta-emitting radiation energy that relatively soft [E 497 (78,6%) and 176 (12,2%) keV, with the ability to penetrate is ?1,5 mm], gamma-emitting energy [E 113 (6,4%) and 208 (11%) keV], and its half-life is relatively moderate (6,73 days). As beta-emitting radionuclide with energy that relatively soft, Lu-177 was used for cancer therapy, and as gamma-emitting radionuclide, Lu177 was used for diagnose, therefore Lu-177 is a radioisotope that is ideal for theranostic application. The purpose of the present study is to label H2salen and H2salpn ligands with Lu-177 radioisotope via in vitro and study its labeling reactions via in silico includes reactivity, stability, ligand exchange reactions, and characterization of infrared and UV-visible spectra. The labeling reactions of H2salen and H2salpn ligands with Lu-177 radioisotope is carried out in methanol, acetone, and DMF as solvents at various temperatures (25, 40, 60, and 80 ?C). The radiochemical characterization was performed using TLC with ITLC-SG as stationary phase, NaCl 0,9% solution as eluent, and addition solution of Na2EDTA as chelating agent to separate free Lu-177 from Lu-177 complexes. The TLC pattern is visualized by measuring the radioactivity remaining on ITLC-SG. The in silico study was performed using DFT/B3LYP to investigate the reactivity, stability, ligand exchanges interaction, and infrared spectra of modeled molecule, while UV-visible spectrum was performed using TD-DFT/B3LYP. The ligand of H2salen and H2salpn have been succesfully labeled with Lu-177 radioisotope with the highest yield of 28,4 and 19,4% respectively (both labeled compounds have Rf = 0) for the complex of 177 Lu-H2salen and 177 Lu-H2salpn in solvent DMF, pH 6, and 1 hour for incubation time. The result of in silico study showed that theoretically H2salen and H2salpn ligands can react with LuCl3 forming a stable complex. The result of in silico study also indicated that the addition of Na2EDTA to labeled compounds may exchange H2salen and H2salpn ligand from their complexes. In silico UV-visible spectra indicated that the H2salen and H2salpn ligands undergo bathochromic shift after complex of 177 Lu-H2salen and 177 Lu-H2salpn are formed.