Furoquinoline and bisindole alkaloids from the roots of Teclea nobilis and their in-silico molecular docking analysis
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Tamrat Tesfaye Ayele
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Getahun Tadesse Gurmessa
Abstract
Teclea nobilis is a medicinal plant widely used to treat oral pathogens, gonorrhea, fever, analgesics, asthma, joint pains, pneumonia, and intestinal worms in Ethiopia. Anticipated by these claims, column chromatographic separation of the roots extract of T. nobilis led to the isolation of eight alkaloids (1–8). The structures of the isolated compounds were identified based on their NMR (1D and 2D) spectral data analysis and comparison with reported literature data. In-silico molecular docking analysis of the isolated compounds were performed against Staphylococcus aureus DNA Gyrase (PDB ID: 2XCT) and human topoisomerase IIβ DNA (PDB ID: 3QX3) by using AutoDock Vina. ADMET analysis were performed by SwissADME, PreADMET, and OSIRIS Property predictions. The study revealed that the isolated compounds exhibited promising binding affinity to DNA gyrase, especially with compound 5 forms a stable drug-protein complex. Whereas the ADME and drug-likeness analysis revealed that compound 5 is less absorbed from the gastrointestinal tract, crossblood brain barrier and a P-glycoprotein substrate. This indicated that compound 5 could be a good candidate as anticancer agent provided that in vivo analysis done for more confirmation.
Funding source: Wallaga University
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Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: Tamirat T. A. is thankful to Wallaga University, Ethiopia for financial support for his PhD study.
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Conflict of interest statement: The authors declare no conflict of interests. This research study complies with research and publishing ethics. The scientific and legal responsibility for manuscripts published in ZNC belongs to the author(s).
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Artikel in diesem Heft
- Frontmatter
- Research Articles
- A novel eudesmol derivative from the leaf essential oil of Guatteria friesiana (Annonaceae) and evaluation of the antinociceptive activity
- Chemical constituents of Desmodium triflorum and their antifungal activity against various phytopathogenic fungi
- Exploring phytochemical constituents of Achillea arabica Kotschy. ethanolic flower extract by LC-MS/MS and its possible antioxidant and antidiabetic effects in diabetic rats
- Chemical constituents from Ficus sur Forssk (Moraceae)
- In vitro acetylcholinesterase, tyrosinase inhibitory potentials of secondary metabolites from Euphorbia schimperiana and Euphorbia balsamifera
- Furoquinoline and bisindole alkaloids from the roots of Teclea nobilis and their in-silico molecular docking analysis
- Limonoids and insecticidal activity on Spodoptera frugiperda (J.E. Smith) (Lepidoptera: Noctuidae) of Trichilia catigua A. Juss. (Meliaceae)
- Tissue specific changes of phytochemicals, antioxidant, antidiabetic and anti-inflammatory activities of tea [Camellia sinensis (L.)] extracted with different solvents
- Anonazepine, a new alkaloid from the leaves of Annona muricata (Annonaceae)
- Two new natural products from Portulaca oleracea L. and their bioactivities
Artikel in diesem Heft
- Frontmatter
- Research Articles
- A novel eudesmol derivative from the leaf essential oil of Guatteria friesiana (Annonaceae) and evaluation of the antinociceptive activity
- Chemical constituents of Desmodium triflorum and their antifungal activity against various phytopathogenic fungi
- Exploring phytochemical constituents of Achillea arabica Kotschy. ethanolic flower extract by LC-MS/MS and its possible antioxidant and antidiabetic effects in diabetic rats
- Chemical constituents from Ficus sur Forssk (Moraceae)
- In vitro acetylcholinesterase, tyrosinase inhibitory potentials of secondary metabolites from Euphorbia schimperiana and Euphorbia balsamifera
- Furoquinoline and bisindole alkaloids from the roots of Teclea nobilis and their in-silico molecular docking analysis
- Limonoids and insecticidal activity on Spodoptera frugiperda (J.E. Smith) (Lepidoptera: Noctuidae) of Trichilia catigua A. Juss. (Meliaceae)
- Tissue specific changes of phytochemicals, antioxidant, antidiabetic and anti-inflammatory activities of tea [Camellia sinensis (L.)] extracted with different solvents
- Anonazepine, a new alkaloid from the leaves of Annona muricata (Annonaceae)
- Two new natural products from Portulaca oleracea L. and their bioactivities
