Biophysical chemistry of macrocycles for drug delivery: a theoretical study
     
Yazarlar (3)
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Russian Chemical Bulletin (Q3)
Dergi ISSN 1066-5285 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 02-2011
Cilt / Sayı / Sayfa 60 / 2 / 238–241 DOI 10.1007/s11172-011-0039-5
Makale Linki http://dx.doi.org/10.1007/s11172-011-0039-5
Özet
Ab initio (RHF/STO-3G) quantum chemical calculations using the self-consistent reaction field (SCRF) model were carried out to analyze the effect of solvent polarity on the relative Gibbs free energies, the dipole moments, and the structural stability of peptide macrocycles based on unsubstituted cyclo[Gly6] and its trisubstituted derivatives containing Me, NH2, or OH groups at the Cα atom. The macrocycles studied are stable in water at both room temperature and at body fever temperature, which is important for the design of a stable nanovehicle for drug delivery in water. © 2011 Springer-Verlag.
Anahtar Kelimeler
drug delivery | peptide macrocycles | restricted Hartree-Fock approximation (RHF) | self-consistent reaction field (SCRF) model