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ADMET, drug-likeness analyses of N-cyclohexylacrylamide: a first study on molecular docking and dynamic with DAPK1 and associated proteins   
Yazarlar (2)
Nevin Cankaya
Prof. Dr. Serap YALÇIN AZARKAN Prof. Dr. Serap YALÇIN AZARKAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Devamını Göster
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
Makale Türü Açık Erişim Özgün Makale
Makale Alt Türü ESCI dergilerinde yayınlanan tam makale
Dergi Adı DISCOVER APPLIED SCIENCES
Makale Dili İngilizce
Basım Tarihi 05-2025
Cilt No 7
Sayı 6
Doi Numarası 10.1007/s42452-025-07143-6
Makale Linki https://link.springer.com/content/pdf/10.1007/s42452-025-07143-6.pdf