Hybrid Imidazole-Pyridine Derivatives: An Approach to Novel Anticancer DNA Intercalators

Author(s): Claudiu N. Lungu*, Bogdan Ionel Bratanovici, Maria Mirabela Grigore, Vasilichia Antoci, Ionel I. Mangalagiu*

Journal Name: Current Medicinal Chemistry

Volume 27 , Issue 1 , 2020

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Abstract:

Lack of specificity and subsequent therapeutic effectiveness of antimicrobial and antitumoral drugs is a common difficulty in therapy. The aim of this study is to investigate, both by experimental and computational methods, the antitumoral and antimicrobial properties of a series of synthesized imidazole-pyridine derivatives. Interaction with three targets was discussed: Dickerson-Drew dodecamer (PDB id 2ADU), G-quadruplex DNA string (PDB id 2F8U) and DNA strain in complex with dioxygenase (PDB id 3S5A). Docking energies were computed and represented graphically. On them, a QSAR model was developed in order to further investigate the structure-activity relationship. Results showed that synthesized compounds have antitumoral and antimicrobial properties. Computational results agreed with the experimental data.

Keywords: Anticancer drugs, DNA intercalators, docking, binding site, hybrid imidazole-pyridine derivatives, QSAR model.

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Article Details

VOLUME: 27
ISSUE: 1
Year: 2020
Page: [154 - 169]
Pages: 16
DOI: 10.2174/0929867326666181220094229
Price: $65

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