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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ejeh, Stephen | vi |
dc.contributor.other | Uzairu, Adamu | vi |
dc.contributor.other | Shallangwa, Gideon Adamu | vi |
dc.contributor.other | Abechi, Stephen E. | vi |
dc.date.accessioned | 2023-03-15T02:39:21Z | - |
dc.date.available | 2023-03-15T02:39:21Z | - |
dc.date.issued | 2021 | - |
dc.identifier.issn | 2522-8307 | vi |
dc.identifier.uri | http://tailieuso.tlu.edu.vn/handle/DHTL/12296 | - |
dc.description.abstract | The model obtained by in-silico method have the following statistical records, coefficient of determination (r2) of 0.7704, cross-validation (q2LOO = 0.6914); external test set (r2(pred) = 0.7049) and Y-randomization assessment (cR2p = 0.7025). The results from the model were used to identify 12 new potential human HCV NS3/4A protease inhibitors, and it was observed that the identified molecule is well-fixed when docked with the receptor and was found to have the lowest binding energy of − 10.7, compared to approved direct-acting antiviral agents (Telaprevir, Simeprevir, and Voxilaprevir) with − 9.5, − 10.0, − 10.5 binding energy, respectively. | vi |
dc.description.uri | https://link.springer.com/article/10.1186/s42269-020-00467-w | vi |
dc.language | en_US | vi |
dc.relation.ispartofseries | Bulletin of the National Research Centre, Volume 45 (2021), Article number: 3 | vi |
dc.subject | Computer-aided drug design | vi |
dc.subject | QSAR | vi |
dc.subject | HCV NS3/4A protease inhibitors | vi |
dc.subject | Molecular docking | vi |
dc.subject | Molecular descriptors | vi |
dc.title | Computer-aided identification of a series of novel ligands showing high potency as hepatitis C virus NS3/4A protease inhibitors | vi |
dc.type | BB | vi |
Appears in Collections: | Tài liệu mở |
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