ArticleFrontiers in oncology2021
DFT Study on the Substituent Effect of Anticancer Picoline-Diazido-Pt(IV) Compounds.
Article in Frontiers in oncology, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
3 citing papers in PubMed.
- Evaluation ofFood science & nutrition · 2025Article
- The combination of multi-approach studies to explore the potential therapeutic mechanisms of imidazole derivatives as an MCF-7 inhibitor in therapeutic strategies.Frontiers in chemistry · 2023Article
- Development of Photoremovable Linkers as a Novel Strategy to Improve the Pharmacokinetics of Drug Conjugates and Their Potential Application in Antibody-Drug Conjugates for Cancer Therapy.Pharmaceuticals (Basel, Switzerland) · 2022Review
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Authors and funding
2 authors.
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Abstract
The geometric structure of azido Pt(IV) compounds containing picoline was calculated by using density functional theory(DFT) at the LSDA/SDD level. The ESP distribution shows the possible reaction sites of the compounds. In addition, the frequency calculation results assigned the infrared spectra of these compounds, and specified important stretching and bending vibrations. The HOMO-LUMO energy gaps of these compounds are also calculated to explain the charge transfer of the molecules. The distribution of Mulliken charges and natural atomic charges of these atoms is also calculated. Natural bond orbital(NBO) analysis explains the intramolecular interactions and their electron density.
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