Molecular structure, stability and spectroscopic properties of verteporfin and its derivatives – A theoretical insight

Molecular structure, stability and spectroscopic properties of verteporfin and its derivatives – A theoretical insight

The electronic and geometrical structure of the well-known photosensitizer verteporfin VD (1), as well as its guanidine and dicarboxylic acid derivatives VD(Gua)1 (2), VD(COOH)2 (3), and VD(Gua)3 (4) are analyzed using density functional theory (DFT) calculations. The investigation of compound’s the...

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Bibliographic Details
Main Authors: Raju Suresh Kumar, Abdulrahman I. Almansour, Natarajan Arumugam, Khloud Ibrahim Al-Shemaimari, Sakkarapalayam M. Mahalingam, Sakkarapalayam Murugesan Senthil Kumar
Format: Article
Language:English
Published: Elsevier 2024-01-01
Series:Journal of King Saud University: Science
Subjects:
DFT
NMR
PDT
Verteporfin
Guanidine derivative
Online Access:http://www.sciencedirect.com/science/article/pii/S1018364723004937

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http://www.sciencedirect.com/science/article/pii/S1018364723004937

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