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 Experiment Videos

Computer simulation study of synthetic 4-helix bundle that binds halothane.

A B Woska1, M L Klein, D Scharf

  • 1Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia 19104-6323, USA.

Toxicology Letters
|February 27, 1999
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

The antibody-peptide fusion protein, AT-02, is an effective opsonin with pan-amyloid reactivity.

npj drug discovery·2026
Same author

[Exchange of aniridia IOLs for customized iris IOL implants].

Der Ophthalmologe : Zeitschrift der Deutschen Ophthalmologischen Gesellschaft·2021
Same author

Proton transfer drives protein radical formation in Helicobacter pylori catalase but not in Penicillium vitale catalase.

Journal of the American Chemical Society·2011
Same author

Genome-wide association identifies SKIV2L and MYRIP as protective factors for age-related macular degeneration.

Genes and immunity·2010
Same author

Polymorphisms in C2, CFB and C3 are associated with progression to advanced age related macular degeneration associated with visual loss.

Journal of medical genetics·2008
Same author

X-ray diffraction and computation yield the structure of alkanethiols on gold(111).

Science (New York, N.Y.)·2008

The synthetic peptide H10A24 forms a four-helix bundle that binds halothane. Molecular dynamics simulations revealed a compact bundle structure, but no pocket for halothane within its hydrophobic core.

Area of Science:

  • Biochemistry
  • Computational Chemistry
  • Structural Biology

Background:

  • The synthetic peptide H10A24 self-assembles into a four-helix bundle in aqueous solution.
  • This bundle demonstrates saturable binding of the anesthetic halothane.

Purpose of the Study:

  • To investigate the vacuum structure of the H10A24 four-helix bundle.
  • To understand the structural basis for halothane binding.

Main Methods:

  • Molecular dynamics (MD) simulations were employed.
  • Simulations were initiated with four ideal parallel alpha-helices.

Main Results:

  • The simulation resulted in a compact bundle structure.
  • The secondary structure remained predominantly alpha-helical throughout the simulation.

Related Experiment Videos

  • The hydrophobic core of the bundle lacked a pocket of sufficient size to accommodate halothane.

    • Conclusions:

    • The H10A24 four-helix bundle adopts a compact, stable alpha-helical structure.
    • The simulated structure does not present a binding site for halothane, suggesting binding may occur through other mechanisms or in different environments.