Microwave-assisted synthesis, molecular docking and anti-HIV activities of some drug-like quinolone derivatives
| Autor: | Ahmed Majeed Jassem, Faeza Abdul Kareem Almashal, Jasim M. Al-Shawi, Adil Muala Dhumad |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
biology
010405 organic chemistry Chemistry Hydrogen bond medicine.drug_class Stereochemistry medicine.medical_treatment Organic Chemistry Protein Data Bank (RCSB PDB) Active site Quinolone 01 natural sciences In vitro Pyrrolidine 0104 chemical sciences Targeted therapy 010404 medicinal & biomolecular chemistry chemistry.chemical_compound Docking (molecular) biology.protein medicine General Pharmacology Toxicology and Pharmaceutics |
| Zdroj: | Medicinal Chemistry Research. 29:1067-1076 |
| ISSN: | 1554-8120 1054-2523 |
| DOI: | 10.1007/s00044-020-02546-z |
| Popis: | In targeted therapy of breast cancer, human epidermal growth factor receptor 2 HER2 (PDB ID: 3PP0) is being considered as a promising route to design novel anti-breast cancer drugs. In this work, we report two of novel N-substituted pyrrolidine at C-8 position of quinolone derivatives 18 and 19, their synthesis under microwave technique, spectral methods, molecular docking study and anti-HIV activities. Docking study exhibited hydrogen bonding, polar, and Van der Waals interactions with the active site residues of HER2 target. The binding energy and hydrogen bonding interactions show that synthesized compounds are being considered to have a potential activity against breast cancer. In addition, quinolone derivatives were evaluated in vitro for antiviral activity against the replication of HIV-1 and HIV-2 in MT-4 cells. The results showed that quinolone derivatives 18 and 19 possess a potent activity against HIV-1 replication with IC50 values of ≥15.20 and 14.26 μM, SI ≤ 6 and >7, respectively. |
| Databáze: | OpenAIRE |
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