In Silico discovery of novel androgen receptor inhibitors for prostate cancer therapy using virtual screening, molecular docking, and molecular dynamics simulations
Abstract This study employs an integrated computational approach to identify novel androgen receptor (AR) inhibitors, a key target in prostate cancer (PC) therapy. The full-length AR structure was modeled using MODELLER v10 (template: 1GS4) and validated via Ramachandran analysis, DOPE scoring, and...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-08-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-15038-0 |
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