ADMET, drug-likeness analyses of N-cyclohexylacrylamide: a first study on molecular docking and dynamic with DAPK1 and associated proteins
Yazarlar (2)
Nevin Çankaya
Usak University, Türkiye
Prof. Dr. Serap YALÇIN AZARKAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(ESCI dergilerinde yayınlanan tam makale)
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| Dergi Adı | DISCOVER APPLIED SCIENCES | ||
| Dergi ISSN | 3004-9261 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 05-2025 |
| Cilt / Sayı / Sayfa | 7 / 6 / – | DOI | 10.1007/s42452-025-07143-6 |
| Makale Linki | https://doi.org/10.1007/s42452-025-07143-6 | ||
| Özet |
| Death-associated protein kinase 1 (DAPK1) is a calcium/calmodulin (Ca2+/CaM)-dependent serine/threonine kinase that acts as a tumor suppressor and controls tumor growth in the early stages. However, its role in promoting tumor epithelial-mesenchymal transition (EMT) and stem cell expression becomes particularly significant in advanced-stage cancers, such as colon and thyroid cancer. The inhibition of DAPK1 might be beneficial to treat cancer. Our research focused on creating a first-in-class, small-molecule DAPK1 inhibitor for cancer therapy. In the present study, we have used a synthesized molecule, N-cyclohexylacrylamide (NCA), to identify DAPK1 and associated protein groups. We obtained the 3D protein structures from the protein data bank. Furthermore, ADMET and drug-likeness properties of the compound were analyzed by using the rules of Lipinski, Veber, and Ghose (http://www.swissadme.ch … |
| Anahtar Kelimeler |
| N-Cyclohexylacrylamide | Molecular docking | Drug-likeness | ADMET | DAPK1 |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 1 |