ArticleInternational journal of molecular sciences2020
Polymorphic Forms of Valinomycin Investigated by NMR Crystallography.
Article in International journal of molecular sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 11 citations in OpenAlex.
- Determination of key functional structures of an amorphous VHL-based SMARCA2 PROTAC.Nature communications · 2025Article
- Spiers Memorial Lecture: NMR crystallography.Faraday discussions · 2025Article
- Atomic-level structure determination of amorphous molecular solids by NMR.Nature communications · 2023Article
- Quantifying the Intrinsic Strength of C-H⋯O Intermolecular Interactions.Molecules (Basel, Switzerland) · 2023Article
- Article
- A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids.The journal of physical chemistry. C, Nanomaterials and interfaces · 2022Article
- The Physical Chemistry and Chemical Physics (PCCP) Section of theInternational journal of molecular sciences · 2021Article
- Modeling the Structure of Crystalline Alamethicin and Its NMR Chemical Shift Tensors.Antibiotics (Basel, Switzerland) · 2021Article
- The Nonribosomal Peptide Valinomycin: From Discovery to Bioactivity and Biosynthesis.Microorganisms · 2021Review
- Parametrizing the Spatial Dependence ofInternational journal of molecular sciences · 2020Article
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
A dodecadepsipeptide valinomycin (VLM) has been most recently reported to be a potential anti-coronavirus drug that could be efficiently produced on a large scale. It is thus of importance to study solid-phase forms of VLM in order to be able to ensure its polymorphic purity in drug formulations. The previously available solid-state NMR (SSNMR) data are combined with the plane-wave DFT computations in the NMR crystallography framework. Structural/spectroscopical predictions (the PBE functional/GIPAW method) are obtained to characterize four polymorphs of VLM. Interactions which confer a conformational stability to VLM molecules in these crystalline forms are described in detail. The way how various structural factors affect the values of SSNMR parameters is thoroughly analyzed, and several SSNMR markers of the respective VLM polymorphs are identified. The markers are connected to hydrogen bonding effects upon the corresponding (
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