Hybrid Imidazole-Pyridine Derivatives: An Approach to Novel Anticancer DNA Intercalators.
Anticancer drugs
DNA intercalators
QSAR model
binding site
docking
hybrid imidazole-pyridine derivatives.
Journal
Current medicinal chemistry
ISSN: 1875-533X
Titre abrégé: Curr Med Chem
Pays: United Arab Emirates
ID NLM: 9440157
Informations de publication
Date de publication:
2020
2020
Historique:
received:
08
12
2017
revised:
05
02
2018
accepted:
09
02
2018
pubmed:
21
12
2018
medline:
27
2
2020
entrez:
21
12
2018
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 30569842
pii: CMC-EPUB-95339
doi: 10.2174/0929867326666181220094229
doi:
Substances chimiques
Antineoplastic Agents
0
Intercalating Agents
0
Pyridines
0
DNA
9007-49-2
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
154-169Informations de copyright
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