title: Identification of lamivudine conformers by Raman scattering measurements and quantum chemical calculations.
abstract: 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.
authors.affiliation: Escola de Farmácia, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Campus Pampulha, 30123-970 Belo Horizonte, Minas Gerais, Brazil.
authors.forename: B G
authors.initials: BG
authors.lastname: Pereira
authors.forename: C D
authors.initials: CD
authors.lastname: Vianna-Soares
authors.forename: A
authors.initials: A
authors.lastname: Righi
authors.forename: M V B
authors.initials: MV
authors.lastname: Pinheiro
authors.forename: M Z S
authors.initials: MZ
authors.lastname: Flores
authors.forename: E M
authors.initials: EM
authors.lastname: Bezerra
authors.forename: V N
authors.initials: VN
authors.lastname: Freire
authors.forename: V
authors.initials: V
authors.lastname: Lemos
authors.forename: E W S
authors.initials: EW
authors.lastname: Caetano
authors.forename: B S
authors.initials: BS
authors.lastname: Cavada
mesh_terms: 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*
chemical_list: D011208:Powders; D018894:Reverse Transcriptase Inhibitors; D019259:Lamivudine; D054303:HIV Reverse Transcriptase