2D-QSAR driven design, molecular docking, molecular dynamics simulation and MM/GBSA studies on quinazoline derivatives for development of VEGFR-2 inhibitors
Abstract Various in silico approaches were utilized to design quinazoline derivatives as anticancer agents targeting VEGFR-2. Six 2D-QSAR models were generated via Monte Carlo optimization method of CORALSEA software. The models generated were based on hybrid optimal descriptors including Graphs and...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer
2025-05-01
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| Series: | Discover Chemistry |
| Subjects: | |
| Online Access: | https://doi.org/10.1007/s44371-025-00173-4 |
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