Identification of lamivudine conformers by Raman scattering measurements and quantum chemical calculations.
Characterization of nucleoside and non-nucleoside human immunodeficiency virus (HIV) reverse transcriptase inhibitors conformers, NRTIs and NNRTIs, respectively, is fundamental for an improved treatment of infected individuals. Three conformers in lamivudine I powder are quickly identified in this work by assignment of some Raman peaks to their vibrational frequencies, as obtained by first principles quantum chemical calculations. The method is proposed as a practical procedure for non-destructive identification, analysis, and process monitoring of NRTIs and NNRTIs conformers.
Pereira
B G
BG
Escola de Farmácia, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Campus Pampulha, 30123-970 Belo Horizonte, Minas Gerais, Brazil.
Vianna-Soares
C D
CD
Righi
A
A
Pinheiro
M V B
MV
Flores
M Z S
MZ
Bezerra
E M
EM
Freire
V N
VN
Lemos
V
V
Caetano
E W S
EW
Cavada
B S
BS
D015658:HIV Infections / Q000188:drug therapy / Q000201:enzymology / Q000821:virology; D054303:HIV Reverse Transcriptase / Q000737:chemistry / Q000627:therapeutic use; D015497:HIV-1 / Q000187:drug effects / Q000201:enzymology / Q000235:genetics; D006801:Humans; D019259:Lamivudine / Q000737:chemistry* / Q000494:pharmacology; D008958:Models, Molecular; D011208:Powders; D011789:Quantum Theory; D018894:Reverse Transcriptase Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D013059:Spectrum Analysis, Raman / Q000379:methods*
D011208:Powders; D018894:Reverse Transcriptase Inhibitors; D019259:Lamivudine; D054303:HIV Reverse Transcriptase