Computational and experimental examinations of new antitumor palladium(II) complex: CT-DNA-/BSA-binding,<i>in-silico</i>prediction, DFT perspective, docking, molecular dynamics simulation and ONIOM-Reference-Cited by-同舟云学术

Computational and experimental examinations of new antitumor palladium(II) complex: CT-DNA-/BSA-binding,in-silicoprediction, DFT perspective, docking, molecular dynamics simulation and ONIOM

Published:2023-06-22 Issue: Volume: Page:1-23
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Dorafshan Tabatabai Ashraf Sadat¹,Dehghanian Effat¹,Mansouri-Torshizi Hassan¹,Feizi-Dehnayebi Mehran¹

Affiliation:

1. Department of Chemistry, University of Sistan and Baluchestan, Zahedan, Iran

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2226715

Reference113 articles.

1. Synthesis and intensive characterization for novel Zn(II), Pd(II), Cr(III) and VO(II)-Schiff base complexes; DNA-interaction, DFT, drug-likeness and molecular docking studies

2. Applications of serum albumins in delivery systems: Differences in interfacial behaviour and interacting abilities with polysaccharides

3. A combined experimental and theoretical approach to investigate the structure, magnetic properties and DNA binding affinity of a homodinuclear Cu(ii) complex

4. Experimental and computational approach to the rational monitoring of hydrogen-bonding interaction of 2-Imidazolidinethione with DNA and guanine

5. Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach

Cited by 20 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Pharmacologically important tetraaza macrocyclic Schiff base complexes of Zn(II), Cu(II) and Co(II): Synthesis, characterization, DFT studies, molecular docking and in vitro anti-bacterial and anti-cancer studies;Journal of Molecular Structure;2024-12

2. Synthesis of oxadiazole derivatives: Anti-bacterial, DNA binding and in silico molecular modelling approaches;Journal of Molecular Structure;2024-12

3. Structure-bioactivity relationship study on anticancer Pd and Pt complexes with aliphatic glycine derivative ligands;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-09

4. Assessment of the electrostatic binding of ferrocenylmethyl-nitroaniline derivatives to DNA: A combined experimental and theoretical study;Journal of Molecular Structure;2024-07

5. Exploring the chemical physics in tetraphenylporphyrin-N-methylfulleropyrrolidine supramolecular complex by spectroscopic investigations and quantum chemical calculations;Chemical Physics;2024-06