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Evaluation of novel HIV-1 protease inhibitors with DRV-resistance by utilizing 3D-QSAR molecular docking and molecular dynamics simulation
- Source :
- New Journal of Chemistry. 46:21885-21897
- Publication Year :
- 2022
- Publisher :
- Royal Society of Chemistry (RSC), 2022.
-
Abstract
- Molecular dynamics simulations were performed to explore the interaction mode of DRV derivatives binding to target proteins and to identify new potential HIV-1 PR inhibitors with stronger activity.
- Subjects :
- Materials Chemistry
General Chemistry
Catalysis
Subjects
Details
- ISSN :
- 13699261 and 11440546
- Volume :
- 46
- Database :
- OpenAIRE
- Journal :
- New Journal of Chemistry
- Accession number :
- edsair.doi...........89b53173ad0041e4a998e0c1c79f45f7
- Full Text :
- https://doi.org/10.1039/d2nj04492g