Abstract
Atropine was characterized by FT-IR, FT-Raman and Ultraviolet–Visible spectroscopic techniques. Optimization of molecular structure is accomplished with the support of density functional theory calculations. Vibrational spectral investigation exposes candid evidence for the influence of charge transfer on molecule activity. Experimental UV–Visible spectrum has been compared with the predicted electronic absorption spectrum obtained from TD-DFT estimations. For electronic absorption, along with IR and Raman spectra, high compactness is observed with the predicted and experimental results. Molecular docking of Atropine with target proteins admits its anticancer activity.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
