Computational Biology and Chemistry

Integrated study reveals mechanism of Tripterygium Wilfordii against Cholangiocarcinoma based on bioinformatics approaches and molecular dynamics simulation

Pub Date : 2024-02-01 DOI: 10.1016/j.compbiolchem.2024.108030 Yuting-Zhao, Junfeng-Guo

INTERACTIONS BETWEEN DNA AND THE ACRIDINE INTERCALATOR: A COMPUTATIONAL STUDY

Pub Date : 2024-02-01 DOI: 10.1016/j.compbiolchem.2024.108029 Thaynara Guimarães Miranda, Nicolas Nascimento Ciribelli, Murielly Fernanda Ribeiro Bihain, Anna Karla dos Santos Pereira, G. Cavallini, D. Pereira

Designing, DFT, Biological, & molecular docking analysis of new Iron(III) & Copper(II) complexes incorporating 1-{[-(2-Hydroxyphenyl)methylene]amino}-5,5-diphenylimidazolidine-2,4-dione (PHNS)

Pub Date : 2024-02-01 DOI: 10.1016/j.compbiolchem.2024.108031 M. Khalaf, Hany M. Abd El-Lateef, M. Gouda, A. A. Abdelhamid, Mohamed Abdelbaset, Abdulelah H. Alsulami, Mohammed N. Almarri, A. Abdou