دورية أكاديمية
Synthesis, cytotoxic evaluation and molecular docking study of novel quinazoline derivatives as PARP-1 inhibitors.
| العنوان: | Synthesis, cytotoxic evaluation and molecular docking study of novel quinazoline derivatives as PARP-1 inhibitors. |
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| المؤلفون: | Amin KM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Cairo University, Egypt., Anwar MM, Kamel MM, Kassem EM, Syam YM, Elseginy SA |
| المصدر: | Acta poloniae pharmaceutica [Acta Pol Pharm] 2013 Sep-Oct; Vol. 70 (5), pp. 833-49. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Polski Towarzystwo Farmaceutyczne Country of Publication: Poland NLM ID: 2985167R Publication Model: Print Cited Medium: Print ISSN: 0001-6837 (Print) Linking ISSN: 00016837 NLM ISO Abbreviation: Acta Pol Pharm Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: Warszawa : Polski Towarzystwo Farmaceutyczne Original Publication: Warszawa [194-]- |
| مواضيع طبية MeSH: | Poly(ADP-ribose) Polymerase Inhibitors*, Antineoplastic Agents/*chemical synthesis , Antineoplastic Agents/*pharmacology , Quinazolines/*chemical synthesis , Quinazolines/*pharmacology, Antibiotics, Antineoplastic ; Binding Sites/drug effects ; Breast Neoplasms/drug therapy ; Cell Line, Tumor/drug effects ; Doxorubicin/pharmacology ; Female ; Humans ; Magnetic Resonance Spectroscopy ; Models, Molecular ; Poly (ADP-Ribose) Polymerase-1 ; Poly(ADP-ribose) Polymerases/metabolism ; Spectrophotometry, Infrared |
| مستخلص: | Novel series of spiro[(2H,3H)-quinazoline-2,1'-cyclohexane] derivatives (I-XVI) were synthesized and biologically evaluated as cytotoxic agents against human breast carcinoma cell lines (MCF-7) using doxorubicin as a reference drug. Most of the tested compounds displayed promising cytotoxic activity, especially derivatives V, VIb and XIb. The most active compounds were docked into the PARP-1 enzyme binding site to predict the ligand-protein binding modes. Lipinski rule of five and ADME profile suggested strongly that compounds V and VIb are promising agents as breast cancer inhibitors with drug likeness approach that have PARP-1 inhibitory activity. The structures of all newly synthesized compounds were confirmed by microanalysis and IR, 1H-NMR and mass spectral data. |
| المشرفين على المادة: | 0 (Antibiotics, Antineoplastic) 0 (Antineoplastic Agents) 0 (Poly(ADP-ribose) Polymerase Inhibitors) 0 (Quinazolines) 80168379AG (Doxorubicin) EC 2.4.2.30 (PARP1 protein, human) EC 2.4.2.30 (Poly (ADP-Ribose) Polymerase-1) EC 2.4.2.30 (Poly(ADP-ribose) Polymerases) |
| تواريخ الأحداث: | Date Created: 20131024 Date Completed: 20131114 Latest Revision: 20161125 |
| رمز التحديث: | 20240628 |
| PMID: | 24147361 |
| قاعدة البيانات: | MEDLINE |
| تدمد: | 0001-6837 |
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