Structure and electronics properties of novel antimalarial molecules: Comparative study of ferrotriborodiazoquine and ferrodiborotriazoquine with ferroquine using density functional theory. (24th November 2016)

• Record Type: Journal Article
• Authors: Triaki, Nabila; Zaater, Sihem; Abtouche, Soraya; Brahimi, Meziane
• Is Part Of: Polyhedron. Volume 119(2016)
• Page Start: 471
• Page End: 482
• Publication Date: 2016-11-24
• Subjects: DFT -- Ferrocene -- Ferroquine -- Ferroborazenes -- Ferrotriborodiazoquine -- Ferrodiborotriazoquine; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2016.07.032
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Theoretical investigation for different conformations of novel sandwich complexes. Replacement of the ferrocene moiety in ferroquine, by a novels sandwich complexes. Comparative study of ferrotriborodiazoquine and ferrodiborotriazoquine with ferroquine using density functional theory. Abstract: The research of new ferrocene analogous compounds, by replacing one or more carbon atoms of the cyclopentadienyl, by another element, such as P, Si, Ge, B, N, has developed significantly and made the preparation of new drugs more efficiently. This work aims to find a new organometallic complex that may have antimalarial and/or anticancer properties. To that end, we substituted, in cyclopentadienyl ring, one or more carbon by boron and/or nitrogen atoms. Moreover, the ferrocene in ferroquine has been substituted by our new compounds. These new species could lead to novel classes of antimalarial and/or anticancer molecules.