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Related Concept Videos

Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
Drug-Receptor Bonds01:25

Drug-Receptor Bonds

Drug-receptor bonds are formed through various chemical forces when drugs interact with target cells. Covalent bonds, strong and irreversible, are exemplified by DNA-alkylating anticancer agents that inhibit cell division. However, such irreversible drug binding lacks selectivity and can modify the DNA of the surrounding healthy cells. Covalent binding often contributes to tissue toxicity, as seen with chloroform and paracetamol metabolites binding to the liver, causing hepatotoxicity.
In...
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...
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Complexometric Titration: Ligands00:43

Complexometric Titration: Ligands

Different monodentate and polydentate ligands are used as complexing agents in complexometric titration reactions. The formation of complexes by mono- and bidentate ligands involves two or more intermediate steps, limiting their use as complexing agents. In comparison, polydentate ligands can form complexes with metal ions in a single-step process, facilitating sharper end points. This means polydentate ligands, such as amino carboxylic acid derivatives, are most commonly employed in...
EDTA: Chemistry and Properties01:22

EDTA: Chemistry and Properties

Polydentate ligands are most widely used in complexometric titrations because they form more stable complexes with the metal ions than mono- or bidentate ligands due to the chelate effect. Examples of polydentate ligands are ethylenediaminetetraacetic acid (EDTA), crown ethers, and cryptands. The most important feature of optimal polydentate ligands is the ability to form 1:1 complexes in a single-step process. Amino carboxylic acid derivatives are frequently used as complexing agents. EDTA is...

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Nanomechanics of Drug-target Interactions and Antibacterial Resistance Detection
11:56

Nanomechanics of Drug-target Interactions and Antibacterial Resistance Detection

Published on: October 25, 2013

Vancomycin forms ligand-mediated supramolecular complexes.

Patrick J Loll1, Ariss Derhovanessian, Maxim V Shapovalov

  • 1Department of Biochemistry and Molecular Biology, Drexel University College of Medicine, Philadelphia, PA 19102, USA. Pat.Loll@Drexel.edu

Journal of Molecular Biology
|November 6, 2008
PubMed
Summary
This summary is machine-generated.

Vancomycin (an antibiotic) forms complex structures with its target molecule, suggesting a new way to design drugs to combat antibiotic resistance. This self-assembly in solution could be key to developing novel antimicrobial therapies.

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

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Published on: November 10, 2013

Area of Science:

  • Structural Biology
  • Medicinal Chemistry
  • Drug Discovery

Background:

  • Antibiotic resistance, particularly to vancomycin, necessitates the development of new antimicrobial drugs.
  • Understanding antibiotic-ligand interactions at a molecular level is crucial for rational drug design.

Purpose of the Study:

  • To determine the high-resolution X-ray crystal structure of vancomycin complexed with N-acetyl-D-Ala-D-Ala.
  • To investigate the potential for ligand-mediated oligomerization of vancomycin in solution.

Main Methods:

  • X-ray crystallography to determine the 1.3 A resolution structure of the vancomycin-ligand complex.
  • Size-exclusion chromatography, dynamic light scattering, and small-angle X-ray scattering to study solution behavior.

Main Results:

  • The crystal structure revealed vancomycin dimers forming extended chains and trimers of dimers through ligand-mediated interactions.
  • Solution studies confirmed that vancomycin forms discrete supramolecular complexes in the presence of tripeptide ligands.
  • Estimated complex sizes suggest assemblies of four to six vancomycin monomers.

Conclusions:

  • The observed vancomycin oligomerization in crystals is likely recapitulated in solution.
  • Ligand-mediated self-assembly represents a novel mechanism for vancomycin-target interaction.
  • This finding offers a new avenue for designing improved glycopeptide antibiotics to overcome resistance.