Computational evaluation on spectroscopic (FT-IR, Raman), electronic and biological, and NLO properties of cirsilineol by DFT, ADMET, and molecular docking method

Computational evaluation on spectroscopic (FT-IR, Raman), electronic and biological, and NLO properties of cirsilineol by DFT, ADMET, and molecular docking method

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Cirsilineol is a natural product that has pharmacological characteristics and is used to prevent the growth of cancer. This study aims to investigate the spectroscopic, electronic, and biological properties of drugs and predict their suitability for drug-like candidates to inhibit prostate cancer....

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Bibliographic Details
Main Authors: Tirth Raj Paneru, Poonam Tandon, Bhawani Datt Joshi
Format: Article
Language:English
Published: Department of Physics, Mahendra Morang Adarsh Multiple Campus, Tribhuvan University 2025-01-01
Series:Bibechana
Subjects:
Cirsilineol
Vibrational spectra
Electrostatic potential
ADMET
van der Waals surface
UV-Vis spectra
Online Access:https://www.nepjol.info/index.php/BIBECHANA/article/view/70126
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