| Yazarlar |
Ahmet Buğra Ortaakarsu
|
Doç. Dr. Hilal MEDETALİBEYOĞLU
Türkiye |
| Özet |
| This research aimed to identify potential drug compounds from the ZINC15 molecule database that could effectively treat GnRH1R-related diseases. The study utilized molecular docking and molecular dynamics methods to achieve this goal, which is crucial in drug repurposing research. The virtual screening process involved analyzing known drug compounds using molecular docking. Additionally, molecular dynamics simulations and MM-GBSA were employed to evaluate the stability of the complexes and determine the interactions between the compounds and protein structure. As a result, this study provides significant insights for treating diseases such as endometriosis, uterine fibroids, and prostate cancer related to GnRH1R. The study also involved designing new drugs and identifying necessary molecular scaffolds. |
| Anahtar Kelimeler |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Turkish Journal of Chemistry |
| Dergi ISSN | 1300-0527 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | İngilizce |
| Basım Tarihi | 04-2024 |
| Cilt No | 48 |
| Doi Numarası | 10.55730/1300-0527.3667 |
| Makale Linki | https://doi.org/10.55730/1300-0527.3667 |
| Atıf Sayıları |
