MODELAREA MOLECULARĂ A INTERACŢIUNII LIPOZOMILORSTABILIZĂŢI STERIC TRANSPORTORI DE MEDICAMENTE CU OPSONINELE SERICE: I – VALIDAREA MODELELOR

May 1, 2006

A. Neamţu, O. C. Mungiu **
* Andrei Neamțu – Asistent universitar – Disciplina de Biofizică, Facultatea de Medicină Dentară, Universitatea de Medicină și Farmacie, Gr. T. Popa, lași
** Ostin C. Mungiu – Profesor universitar – Disciplina de Farmacologie, Toxicologie și Algeziologie,
Facultatea de Medicină, Universitatea de Medicină și Farmacie Gr. T. Popa, lași

Abstract

From their first use as transport vehicles for biological active compounds in the early 1990’s and
until present days, sterically stabilized liposomes (SSL) have evolved significantly and there is now a reality that the research interests in the field of nanoparticulate transporters has moved towards a more fundamental approach. Recently new molecular modelling techniques have become avail­ able, due mainly to constant increase in computational power of modern computers, techniques that have a real potential in rational design of nanoparticulate transporters. The present study (in two parts) is trying to establish a new methodology for the study of liposomal transporters using molecular modelling methods, especially for the ineractions between serum opsonins and liposomal surfaces. This first part of the study is concerning the validation of the forcefields and simulation parameters used by comparing selected experimental data to simulation predictions.