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

Structure-activity relationships in glucocorticoids.

M E Wolff

    Monographs on Endocrinology
    |January 1, 1979
    PubMed
    Summary
    This summary is machine-generated.

    Mathematical models now predict glucocorticoid receptor binding affinity from chemical structure. This advances understanding of steroid-receptor interactions and aids in designing new steroid drugs.

    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

    Analysis of high-affinity binding determinants in the receptor binding epitope of basic fibroblast growth factor.

    Protein engineering·1997
    Same author

    Glu-96 of basic fibroblast growth factor is essential for high affinity receptor binding. Identification by structure-based site-directed mutagenesis.

    The Journal of biological chemistry·1995
    Same author

    Identification of a new class of ETA selective endothelin antagonists by pharmacophore directed screening.

    Biochemical and biophysical research communications·1994
    Same author

    Endoluminal sealing of vascular wall disruptions with radiofrequency-heated balloon angioplasty.

    Catheterization and cardiovascular diagnosis·1993
    Same author

    Antibody- and peptide structure-based drug design.

    NIDA research monograph·1993
    Same author

    Germane reviews.

    Nature·1992
    Same journal

    Hormone toxicity in the newborn.

    Monographs on endocrinology·1990
    Same journal

    Neurobiology of reproduction in the female rat. A fifty-year perspective.

    Monographs on endocrinology·1989
    Same journal

    High-performance liquid chromatography in endocrinology.

    Monographs on endocrinology·1988
    Same journal

    High-performance liquid chromatography of vitamin D and its application to endocrinology.

    Monographs on endocrinology·1988
    Same journal

    High-performance liquid chromatography of the neuropeptides: the endogenous opioid peptides.

    Monographs on endocrinology·1988
    Same journal

    High-performance liquid chromatography of catecholamines and their metabolites in biological material.

    Monographs on endocrinology·1988
    See all related articles

    Area of Science:

    • Medicinal Chemistry
    • Pharmacology
    • Computational Chemistry

    Background:

    • Glucocorticoid structure-activity relationships (SAR) are crucial for drug design.
    • Predicting how structural changes affect glucocorticoid activity is complex.
    • Existing methods for predicting binding affinity have limitations.

    Purpose of the Study:

    • To develop a mathematical model for predicting glucocorticoid receptor affinity from chemical structure.
    • To identify key structural determinants of glucocorticoid-receptor interactions.
    • To provide a tool for rational drug design and synthesis of novel steroids.

    Main Methods:

    • Developed a quantitative structure-activity relationship (QSAR) equation.
    • Utilized knowledge of free energy contributions, hydrophobicity, and A-ring conformation.

    Related Experiment Videos

  • Incorporated parameters for surface area, polar interactions, A-ring tilt, and 9α-substituent size.

    • Main Results:

    • A general equation accurately describes glucocorticoid receptor binding.
    • Four key parameters were identified as major determinants of interaction strength.
    • The model shows excellent correlation, outperforming substituent additivity assumptions.

    Conclusions:

    • Mathematical modeling of steroid-receptor interactions is a valuable tool for SAR studies.
    • The developed equation can guide the design of potent and specific glucocorticoid drugs.
    • This approach is adaptable for designing analogs in other binding systems.