FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine.

Almutairi, Maha S; Alanazi, Amer M; Al-Abdullah, Ebtehal S; El-Emam, Ali A; Pathak, Shilendra K; Srivastava, Ruchi; Prasad, Onkar; Sinha, Leena

Almutairi, Maha S; Alanazi, Amer M; Al-Abdullah, Ebtehal S; El-Emam, Ali A; Pathak, Shilendra K; Srivastava, Ruchi; Prasad, Onkar; Sinha, Leena.

Afiliación

Almutairi MS; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
Alanazi AM; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
Al-Abdullah ES; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
El-Emam AA; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
Pathak SK; Department of Physics, University of Lucknow, 226007 Lucknow, India.
Srivastava R; Department of Physics, University of Lucknow, 226007 Lucknow, India.
Prasad O; Department of Physics, University of Lucknow, 226007 Lucknow, India. Electronic address: onkarprasad1@gmail.com.
Sinha L; Department of Physics, University of Lucknow, 226007 Lucknow, India.

Spectrochim Acta A Mol Biomol Spectrosc ; 140: 1-14, 2015 Apr 05.

Article en En | MEDLINE | ID: mdl-25579797

Asunto(s)

Adamantano/análogos & derivados; Inhibidores de la Proteasa del VIH/química; Proteasa del VIH/metabolismo; VIH-1/enzimología; Triazoles/química; Adamantano/química; Adamantano/farmacología; Infecciones por VIH/tratamiento farmacológico; Infecciones por VIH/virología; Inhibidores de la Proteasa del VIH/farmacología; VIH-1/efectos de los fármacos; Humanos; Simulación del Acoplamiento Molecular; Teoría Cuántica; Espectroscopía Infrarroja por Transformada de Fourier; Espectrometría Raman; Triazoles/farmacología

Palabras clave

FT-IR; FT-Raman; NBO; NLO

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Triazoles / Adamantano / Proteasa del VIH / VIH-1 / Inhibidores de la Proteasa del VIH Límite: Humans Idioma: En Revista: Spectrochim Acta A Mol Biomol Spectrosc Asunto de la revista: BIOLOGIA MOLECULAR Año: 2015 Tipo del documento: Article País de afiliación: Arabia Saudita

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