Vui lòng dùng định danh này để trích dẫn hoặc liên kết đến tài liệu này: https://dspace.ctu.edu.vn/jspui/handle/123456789/109438
Nhan đề: Physicochemical properties and biological efficacy of 30 DYRK2 Inhibitors for the treatment of prostate cancer
Tác giả: Joshi, Sravani
Srivastava, Ruby
Từ khoá: Diagnosis
Drugs
Phosphorylation
Prostate cancer
Dual specificity tyrosine phosphorylation-regulated kinase 2
Năm xuất bản: 2024
Tùng thư/Số báo cáo: Vietnam journal of Chemitry;Vol.62, Iss.05 .- P.624-633
Tóm tắt: Prostate cancer is the most common cancer among men which has major diagnosis in the United States in 2017. Among DYRK class II members, dual specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) is the functional target for prostate cancer treatment. Studies show that subfamilies of DYRKs are also cараble to phosphorylate (tyrosine, serine, and threonine) residues, yet little research has been carried out for its inhibitors. In this article, conceptual density theory is used to estimate the physicochemical properties of 30 experimentally synthesized inhibitors targeting DYRK2. The HOMO-LUMO gap showed low reactivity and high chemical activity for the inhibitors. The biological efficacy of these 30 inhibitors is predicted by bioavailability, mutagenicity, and cardiotoxicity measures. The inhibitors showed low toxicity and no blood brain barrier permeability. Results indicated that the physiological actions of these inhibitors involve multiple target interactions. Since the experimental results of the DYRK2 protein showed great water solubility, favorable safety properties, and potential antiprostate cancer activities for ligand 24, docking and molecular dynamics simulations from the Galaxy webserver using Gromacs open source tools are also performed for (DYRK2-24) complex (PDB: 7EJV). (DYRK2-24) showed strong binding affinity and noncovalent interactions.
Định danh: https://dspace.ctu.edu.vn/jspui/handle/123456789/109438
ISSN: 2525-2321
Bộ sưu tập: Vietnam Journal of Chemistry

Các tập tin trong tài liệu này:
Tập tin Mô tả Kích thước Định dạng  
_file_
  Giới hạn truy cập
3.82 MBAdobe PDF
Your IP: 18.191.67.90


Khi sử dụng các tài liệu trong Thư viện số phải tuân thủ Luật bản quyền.