Vibrational fingerprint of erlotinib: FTIR, RS, and DFT studies

N Piergies, C Paluszkiewicz… - Journal of …, 2019 - Wiley Online Library
In this study, we provide the first Fourier‐transform infrared absorption spectroscopy (FTIR)
and Raman spectroscopy (RS) analysis of a vibrational fingerprint of erlotinib, a drug which …

Vibrational spectral analysis of Sorafenib and its molecular docking study compared to other TKIs

L Stăncioiu, AMR Gherman, I Brezeștean… - Journal of Molecular …, 2022 - Elsevier
In this study, a vibrational spectral analysis of Sorafenib was assessed, along with Density
Functional Theory (DFT) and molecular docking calculations, for determining its …

Vibrational spectroscopy and density functional theory calculations on biological molecules

N Peica - 2006 - opus.bibliothek.uni-wuerzburg.de
Infrared (IR) and Raman spectroscopy are among the most widely used techniques in the
physical and natural sciences today. Vibrational spectroscopy, including IR and Raman …

Raman and infrared studies of platinum-based drugs: cisplatin, carboplatin, oxaliplatin, nedaplatin, and heptaplatin

M Torres, S Khan, M Duplanty, HC Lozano… - The Journal of …, 2018 - ACS Publications
This study reports the optimized structures and lowest-energy conformations/
stereochemistry of five currently used platinum-based drugs: cisplatin, carboplatin …

Characterization of thalidomide using Raman spectroscopy

P Cipriani, CY Smith - Spectrochimica Acta Part A: Molecular and …, 2008 - Elsevier
Thalidomide is a potent anticancer therapeutic drug whose mechanism of action has not yet
been elucidated. In this report, experimental Raman spectroscopy is used to determine and …

FTIR spectra signatures reveal different cellular effects of EGFR inhibitors on nonsmall cell lung cancer cells

L Tabtimmai, P Srisook, B Kuaprasert… - Journal of …, 2020 - Wiley Online Library
ATP‐analogue inhibitors, Gefitinib (Iressa) and Erlotinib (Tarceva) had been approved for
advanced and metastatic nonsmall cell lung cancer (NSCLC) cells against tyrosine kinase …

Experimental FT-IR and UV–Vis spectroscopic studies and molecular docking analysis of anti-cancer drugs exemestane and pazopanib

PV Ramana, YR Krishna, KC Mouli - Journal of Molecular Structure, 2022 - Elsevier
Cancer is the world's third leading cause of mortality, after only cardiovascular disease,
parasitic infection, and infectious disease, according to the World Health Organization …

Effects of nilotinib on leukaemia cells using vibrational microspectroscopy and cell cloning

MR Siddique, AV Rutter, K Wehbe, G Cinque… - Analyst, 2017 - pubs.rsc.org
Over the last few years, both synchrotron-based FTIR (S-FTIR) and Raman
microspectroscopies have helped to better understand the effects of drugs on cancer cells …

Molecular structure and vibrational spectra of Irinotecan: A density functional theoretical study

PC Babu, N Sundaraganesan, S Sudha… - … Acta Part A: Molecular …, 2012 - Elsevier
The solid phase FTIR and FT-Raman spectra of Irinotecan have been recorded in the
regions 400–4000 and 50–4000cm− 1, respectively. The spectra were interpreted in terms …

Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone

V Krishnakumar, G Keresztury, T Sundius… - Spectrochimica Acta Part …, 2007 - Elsevier
The FT-IR and FT-Raman spectra of 1-methyl-4-piperidone was recorded and the observed
bands were interpreted with the aid of normal coordinate analysis following a full structure …