Experimental (FT-IR, UV-Vis) spectroscopic analysis and molecular docking investigations of anti-cancer drugs Alkeran and Bicalutamide

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

(2022) P. Venkata Ramana et al.   JOURNAL OF MOLECULAR STRUCTURE

Global cancer statistics 2020: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries

(2021) Hyuna Sung et al.   CA-A CANCER JOURNAL FOR CLINICIANS

Modulation of Blood–Brain Barrier Permeability by Activating Adenosine A2 Receptors in Oncological Treatment

(2021) Kamila Wala et al.   Biomolecules

Spectroscopic, quantum mechanical, electronic excitation properties (Ethanol solvent), DFT investigations and molecular docking analysis of an anti-cancer drug Bendamustine

(2021) P. Venkata Ramana et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural and functional studies of 1-phenylcyclopentane carboxylic acid a potential anti-cancer drug by spectroscopic, quantum chemical and molecular docking methods

(2019) BR. Raajaraman et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Vibrational and electronic properties of 4′-halomethyl-2-biphenylcarbonitrile compounds

(2017) Y.B. Shankar Rao et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic (FT-IR, FT-Raman, UV–Visible) and quantum chemical studies of 4-Chloro-3-iodobenzophenone

(2017) K. Venkata Prasad et al.   JOURNAL OF MOLECULAR STRUCTURE

Qualitative and quantitative approach towards the molecular understanding of structural, vibrational and optical features of urea ninhydrin monohydrate

(2017) V. Sasikala et al.   MATERIALS CHEMISTRY AND PHYSICS

A comparative study of the vibrational spectra of the anticancer drug melphalan and its fundamental molecules 3-phenylpropionic acid and l-phenylalanine

(2016) Hassan M. Badawi et al.   JOURNAL OF MOLECULAR STRUCTURE

CN stretching vibration of 5-cyanotryptophan as an infrared probe of protein local environment: what determines its frequency?

(2016) Wenkai Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Antiandrogens Inhibit ABCB1 Efflux and ATPase Activity and Reverse Docetaxel Resistance in Advanced Prostate Cancer

(2015) Y. Zhu et al.   CLINICAL CANCER RESEARCH

Spectroscopic studies (FT-IR, FT-Raman, UV–Visible), normal co-ordinate analysis, first-order hyperpolarizability and HOMO, LUMO studies of 3,4-dichlorobenzophenone by using Density Functional Methods

(2015) K. Venkata Prasad et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

The spectroscopic (FT-IR, FT-Raman, l3C, 1H NMR and UV) and NBO analyses of 4-bromo-1-(ethoxycarbonyl)piperidine-4-carboxylic acid

(2015) Vesna D. Vitnik et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Molecular structure, FT-IR, NBO, HOMO and LUMO, MEP and first order hyperpolarizability of (2E)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one by HF and density functional methods

(2015) Y. Sheena Mary et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vibrational spectral analysis, electronic absorption and non-linear optical behavior of (E)-1-(2,4,6-trimethoxyphenyl)pent-1-en-3-one

(2015) Alen S. et al.   VIBRATIONAL SPECTROSCOPY

Density functional theory study, FT-IR and FT-Raman spectra and SQM force field calculation for vibrational analysis of 1, 3-Bis (hydroxymethyl) benzimidazolin-2-one

(2013) Lynnette Joseph et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Experimental (FT-IR, FT-Raman and UV–Vis spectra) and density functional theory calculations of diethyl 1H-pyrazole-3,5-dicarboxylate

(2012) N. Udaya Sri et al.   JOURNAL OF MOLECULAR STRUCTURE

Vibrational and electronic spectra of 5-Acetyluracil – An experimental and theoretical study

(2012) A. Veeraiah et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

The spectroscopic properties of anticancer drug Apigenin investigated by using DFT calculations, FT-IR, FT-Raman and NMR analysis

(2012) G. Mariappan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Conformational polymorphism in bicalutamide: a quantum chemical study

(2012) Devendra K. Dhaked et al.   STRUCTURAL CHEMISTRY

Computer Review of ChemDraw Ultra 12.0 ChemDraw Ultra 12.0 . CambridgeSoft , 100 Cambridge Park Drive, Cambridge, MA 02140 . www.cambridgesoft.com . See Web site for full pricing information.

(2011) Kimberley R. Cousins   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trifluoromethylation of arenes and heteroarenes by means of photoredox catalysis

(2011) David A. Nagib et al.   NATURE