Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Ligand Binding Sites02:40

Ligand Binding Sites

Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Electron Transport Chain: Complex I and II01:46

Electron Transport Chain: Complex I and II

The mitochondrial electron transport chain (ETC) is the main energy generation system in the eukaryotic cells. However, mitochondria also produce cytotoxic reactive oxygen species (ROS) due to the large electron flow during oxidative phosphorylation. While Complex I is one of the primary sources of superoxide radicals, ROS production by Complex II is uncommon and may only be observed in cancer cells with mutated complexes.
ROS generation is regulated and maintained at moderate levels necessary...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Correction: Synthesis, crystal structure and DFT studies of a methylphenyl piperazinyl dithiocarbamato zinc(ii) precursor for zinc sulfide nanophotocatalysts used for the degradation of trypan blue and rhodamine 6G dyes.

RSC advances·2026
Same author

Biochar-capped iron oxide nanocomposites prepared by ultrasonic method as nanophotocatalysts for the degradation of organic dyes using response surface methodology.

RSC advances·2026
Same author

Synthesis, crystal structure and DFT studies of a methylphenyl piperazinyl dithiocarbamato zinc(ii) precursor for zinc sulfide nanophotocatalysts used for the degradation of trypan blue and rhodamine 6G dyes.

RSC advances·2026
Same author

Synthesis, characterization and computational studies of copper(ii) terpyridine-based metal-organic frameworks for the removal of emerging herbicide contaminant from aqueous solution.

RSC advances·2025
Same author

Ultrasensitive electrochemical detection of bisphenol A using copper(ii) metal-organic framework ternary quantum dot (Cu-MOF/TQD) composite-modified gold electrodes.

RSC advances·2025
Same author

Photocatalytic degradation of single and binary mixture of malachite green and rhodamine B dyes by biochar-capped iron oxide nanocomposites.

Environmental science and pollution research international·2025

Related Experiment Video

Updated: May 8, 2026

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay
11:14

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay

Published on: November 10, 2013

An insight into the anticancer activities of Ru(II)-based metallocompounds using docking methods.

Adebayo A Adeniyi1, Peter A Ajibade

  • 1Department of Chemistry, University of Fort Hare, Private Bag X1314, Alice 5700, South Africa.

Molecules (Basel, Switzerland)
|September 7, 2013
PubMed
Summary
This summary is machine-generated.

This study enhances metal complex docking for anticancer drug design by incorporating quantum calculations. New ruthenium(II) compounds show promising theoretical anticancer activity, potentially surpassing existing treatments.

More Related Videos

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
07:20

Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents

Published on: May 28, 2014

Related Experiment Videos

Last Updated: May 8, 2026

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay
11:14

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay

Published on: November 10, 2013

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
07:20

Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents

Published on: May 28, 2014

Area of Science:

  • Computational Chemistry
  • Medicinal Chemistry
  • Drug Discovery

Background:

  • Docking of metal complexes is challenging due to inadequate force fields for metal atoms.
  • Rational design of metal-based drugs is hindered by limitations in computational tools.
  • Ruthenium(II) complexes are investigated for their potential anticancer properties.

Purpose of the Study:

  • To predict the anticancer activities of selected Ru(II) complexes using docking simulations.
  • To improve the accuracy of docking metal complexes by including quantum calculated atomic charges.
  • To identify novel metallocompounds with enhanced anticancer potential compared to existing drugs.

Main Methods:

  • Utilized Molegro and Autodock for docking simulations.
  • Applied quantum calculated atomic charges of optimized geometries to docking.
  • Evaluated interactions against twelve anticancer targets, including DNA and relevant enzymes.
  • Compared theoretical predictions with available experimental data.

Main Results:

  • Incorporating quantum calculated charges significantly improved docking predictions for Ru(II) complexes.
  • Newly proposed metallocompounds demonstrated theoretically superior anticancer activity compared to RAPTA complexes.
  • Strong interactions with DNA base edges suggest cisplatin-like anticancer mechanisms.
  • Potential for covalent bonding with DNA, HDAC7, HIS, and RNR residues was observed.

Conclusions:

  • Computational methods, enhanced with quantum calculations, can aid in the rational design of metal-based anticancer drugs.
  • Novel Ru(II) metallocompounds show significant theoretical promise for cancer therapy.
  • The mechanism may involve metal-directed ligand positioning for optimal receptor interaction and synergistic effects, rather than solely covalent bonding.