Computational Studies of the Photogeneration from Dihydrosanguinarine and the Probable Cytotoxicity Mechanism of Sanguinarine

A computational investigation of the mechanism of dihydrosanguinarine (DHSAN) photoactivation and its conversion into the active drug sanguinarine (SAN) is here reported. The reaction mechanism of DHSAN photoconversion was fully explored by considering its excitation first, essential for generating...

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Autors principals:	Stefano Scoditti, Simone Bruno, Emilia Sicilia, Gloria Mazzone
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2022-01-01
Col·lecció:	Applied Sciences
Matèries:	alkaloid sanguinarine dihydrosanguinarine TDDFT molecular dynamics DNA intercalation
Accés en línia:	https://www.mdpi.com/2076-3417/12/3/1095
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