Hybrid Imidazole-Pyridine Derivatives: An Approach to Novel Anticancer DNA Intercalators
| Autor: | Vasilichia Antoci, Ionel I. Mangalagiu, Maria Mirabela Grigore, Bogdan Ionel Bratanovici, Claudiu N. Lungu |
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| Rok vydání: | 2020 |
| Předmět: |
Quantitative structure–activity relationship
Pyridines Protein Data Bank (RCSB PDB) Quantitative Structure-Activity Relationship Antineoplastic Agents 01 natural sciences Biochemistry 03 medical and health sciences chemistry.chemical_compound Dioxygenase Drug Discovery Imidazole Binding site 030304 developmental biology Pharmacology 0303 health sciences Molecular Structure 010405 organic chemistry Organic Chemistry DNA Antimicrobial Combinatorial chemistry Intercalating Agents 0104 chemical sciences Molecular Docking Simulation chemistry Docking (molecular) Molecular Medicine |
| Zdroj: | Current Medicinal Chemistry. 27:154-169 |
| ISSN: | 0929-8673 |
| DOI: | 10.2174/0929867326666181220094229 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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