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EnglishAcridines are known deoxyribonucleic acid (DNA) intercalators. Accordingly, the interaction of the present acridine derivatives within the DNA double helix was extensively investigated via a sophisticated ensemble of molecular simulation techniques. The results showed that an intricate balance of molecular features contributed to the thermodynamic/kinetics aspects of acridines/DNA binding and, hence, to the ultimate STR for these series of HCV RdRp inhibitors. Among these factors, the length of the large side chain R was found to play a primary role in determining DNA binding strength and, hence, cellular toxicity.
| Titolo: | Look Back in Anger. Toxicity vs. Activity for Acridine Derivatives as HCV RNADependent RNA-polymerase Inhibitors. |
| Autori: | |
| Data di pubblicazione: | 2013 |
| Rivista: | |
| Abstract: | Acridines are known deoxyribonucleic acid (DNA) intercalators. Accordingly, the interaction of the present acridine derivatives within the DNA double helix was extensively investigated via a sophisticated ensemble of molecular simulation techniques. The results showed that an intricate balance of molecular features contributed to the thermodynamic/kinetics aspects of acridines/DNA binding and, hence, to the ultimate STR for these series of HCV RdRp inhibitors. Among these factors, the length of the large side chain R was found to play a primary role in determining DNA binding strength and, hence, cellular toxicity. |
| Handle: | http://hdl.handle.net/11368/2832706 |
| Appare nelle tipologie: | 1.5 Abstract in Rivista |
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