Тип публикации: статья из журнала

Год издания: 2023

Идентификатор DOI: 10.1080/00387010.2023.2210208

Аннотация: The spectral properties of 2-amino 1-naphthalene sulfonic acid were investigated using Fourier transform infrared, Raman, and ultra violet-visible techniques as well as density functional theory. Employing the distribution of potential energy, extensive analysis of vibrational spectrum assignments has been performed. Natural bond oПоказать полностьюrbital was used to study the interactions between the donor and acceptor. The molecular electrostatic potential is used to quantify the visual bio-active portions of the molecule. The computed highest occupied molecular orbital and lowest unoccupied molecular orbital values for different solvents indicates the electron stimulation features. Elucidation of localized orbital locator, electron localization function, reduced density gradient, electron-hole distribution analysis, and drug-likeness are also executed. As revealed by molecular docking research, substituents that target amino acids have antiviral action.

Журнал: Spectroscopy Letters

Выпуск журнала: Т. 56, № 6

Номера страниц: 323-342

ISSN журнала: 00387010

Издатель: Marcel Dekker Inc.

• Sangeetha P. (Department of Physics, Panimalar Engineering College, Chennai, Tamil Nadu, India)
• Alharbi Naiyf S. (Department of Botany and Microbiology, College of Science, King Saud University, Riyadh, Saudi Arabia)
• Kazachenko Aleksandr S. (Department of Natural Organic Compounds Chemistry, Institute of Chemistry and Chemical Technology, Siberian Federal University, Krasnoyarsk, Russia)
• Muthu S. (Department of Physics, Arignar Anna Government Arts College, Cheyyar, Tamil Nadu, India)
• Rajesh R. (Department of Physics, Vel Tech High Tech Dr. Rangarajan Dr. Sakunthala Engineering, Chennai, Tamil Nadu, India)

• Ядро РИНЦ (eLIBRARY.RU)