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Related Experiment Video

Updated: May 22, 2026

A Semi-Quantitative Drug Affinity Responsive Target Stability (DARTS) assay for studying Rapamycin/mTOR interaction
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41-Azido-41-de-oxy-rapamycin.

Lijun Xie, Jie Huang, Jian Zuo

    Acta Crystallographica. Section E, Structure Reports Online
    |May 19, 2012
    PubMed
    Summary
    This summary is machine-generated.

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    This study details a rapamycin derivative, a complex molecule with 15 chiral centers. Its crystal structure reveals specific hydrogen bonding patterns and significant solvent-accessible voids.

    Area of Science:

    • Medicinal Chemistry
    • Structural Biology
    • Crystallography

    Background:

    • Rapamycin is a triene macrolide antibiotic produced by Streptomyces hygroscopicus.
    • Rapamycin derivatives are investigated for their therapeutic potential.

    Purpose of the Study:

    • To characterize the crystal structure of a novel rapamycin derivative.
    • To elucidate the intermolecular interactions and structural features of the compound.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
    • Analysis of hydrogen bonding and crystal packing was performed.

    Main Results:

    • The compound C(51)H(78)N(4)O(12) is a derivative of rapamycin.

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  • The macrocyclic structure possesses 15 chiral centers.
  • Intra- and intermolecular hydrogen bonds (hydroxy-ketone O-H⋯O) form one-dimensional chains.
  • The crystal structure exhibits 108 ų of solvent-accessible voids.

    • Conclusions:

    • The detailed structural analysis provides insights into the solid-state behavior of this rapamycin derivative.
    • The identified hydrogen bonding network and voids may influence the compound's physical properties and formulation.
    • Further studies can explore the implications of these structural findings for drug design and development.