Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico Studies
In-depth botanical characterization was performed on <i>Premna odorata</i> Blanco (Lamiaceae) different organs for the first time. The leaves are opposite, hairy and green in color. Flowers possess fragrant aromatic odors and exist in inflorescences of 4–15 cm long corymbose cyme-type. I...
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MDPI AG
2021-09-01
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| Series: | Plants |
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| Online Access: | https://www.mdpi.com/2223-7747/10/9/1953 |
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| author | Fadia S. Youssef Elisa Ovidi Nawal M. Al Musayeib Mohamed L. Ashour |
| author_facet | Fadia S. Youssef Elisa Ovidi Nawal M. Al Musayeib Mohamed L. Ashour |
| author_sort | Fadia S. Youssef |
| collection | DOAJ |
| description | In-depth botanical characterization was performed on <i>Premna odorata</i> Blanco (Lamiaceae) different organs for the first time. The leaves are opposite, hairy and green in color. Flowers possess fragrant aromatic odors and exist in inflorescences of 4–15 cm long corymbose cyme-type. In-depth morphological and anatomical characterization revealed the great resemblance to plants of the genus <i>Premna</i> and of the family Lamiaceae, such as the presence of glandular peltate trichomes and diacytic stomata. Additionally, most examined organs are characterized by non-glandular multicellular covering trichomes, acicular, and rhombic calcium oxalate crystals. <i>P. odorata</i> leaves <i>n-</i>hexane fraction revealed substantial anti-tuberculous potential versus <i>Mycobacterium tuberculosis</i>, showing a minimum inhibition concentration (MIC) of 100 μg/mL. Metabolic profiling of the <i>n-</i>hexane fraction using gas-chromatography coupled to mass spectrometry (GC/MS) analysis revealed 10 major compounds accounting for 93.01%, with <i>trans-</i>phytol constituting the major compound (24.06%). The virtual screening revealed that <i>trans</i>-phytol highly inhibited MTB C171Q receptor as <i>M. tuberculosis</i> KasA (<i>β-</i>ketoacyl synthases) with a high fitting score (∆G = −15.57 kcal/mol) approaching that of isoniazid and exceeding that of thiolactomycin, the co-crystallized ligand. Absorption, distribution, metabolism, excretion and toxicity predictions (ADME/TOPKAT) revealed that <i>trans-</i>phytol shows lower solubility and absorption levels when compared to thiolactomycin and isoniazid. Still, it is safer, causing no mutagenic or carcinogenic effects with higher lethal dose, which causes the death of 50% (LD50). Thus, it can be concluded that <i>P. odorata</i> can act as a source of lead entities to treat tuberculosis. |
| first_indexed | 2024-03-10T07:17:14Z |
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| issn | 2223-7747 |
| language | English |
| last_indexed | 2024-03-10T07:17:14Z |
| publishDate | 2021-09-01 |
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| series | Plants |
| spelling | doaj.art-4418034374324e008d18ad03f12fab0e2023-11-22T14:54:16ZengMDPI AGPlants2223-77472021-09-01109195310.3390/plants10091953Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico StudiesFadia S. Youssef0Elisa Ovidi1Nawal M. Al Musayeib2Mohamed L. Ashour3Department of Pharmacognosy, Faculty of Pharmacy, Ain-Shams University, Abbasia, Cairo 11566, EgyptDepartment for the Innovation in Biological, Agrofood and Forestal Systems, Tuscia University, 01100 Viterbo, ItalyDepartment of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 11495, Saudi ArabiaDepartment of Pharmacognosy, Faculty of Pharmacy, Ain-Shams University, Abbasia, Cairo 11566, EgyptIn-depth botanical characterization was performed on <i>Premna odorata</i> Blanco (Lamiaceae) different organs for the first time. The leaves are opposite, hairy and green in color. Flowers possess fragrant aromatic odors and exist in inflorescences of 4–15 cm long corymbose cyme-type. In-depth morphological and anatomical characterization revealed the great resemblance to plants of the genus <i>Premna</i> and of the family Lamiaceae, such as the presence of glandular peltate trichomes and diacytic stomata. Additionally, most examined organs are characterized by non-glandular multicellular covering trichomes, acicular, and rhombic calcium oxalate crystals. <i>P. odorata</i> leaves <i>n-</i>hexane fraction revealed substantial anti-tuberculous potential versus <i>Mycobacterium tuberculosis</i>, showing a minimum inhibition concentration (MIC) of 100 μg/mL. Metabolic profiling of the <i>n-</i>hexane fraction using gas-chromatography coupled to mass spectrometry (GC/MS) analysis revealed 10 major compounds accounting for 93.01%, with <i>trans-</i>phytol constituting the major compound (24.06%). The virtual screening revealed that <i>trans</i>-phytol highly inhibited MTB C171Q receptor as <i>M. tuberculosis</i> KasA (<i>β-</i>ketoacyl synthases) with a high fitting score (∆G = −15.57 kcal/mol) approaching that of isoniazid and exceeding that of thiolactomycin, the co-crystallized ligand. Absorption, distribution, metabolism, excretion and toxicity predictions (ADME/TOPKAT) revealed that <i>trans-</i>phytol shows lower solubility and absorption levels when compared to thiolactomycin and isoniazid. Still, it is safer, causing no mutagenic or carcinogenic effects with higher lethal dose, which causes the death of 50% (LD50). Thus, it can be concluded that <i>P. odorata</i> can act as a source of lead entities to treat tuberculosis.https://www.mdpi.com/2223-7747/10/9/1953anatomyanti-tuberculous activityLamiaceae morphologymolecular docking<i>Premna odorata</i>secondary metabolites |
| spellingShingle | Fadia S. Youssef Elisa Ovidi Nawal M. Al Musayeib Mohamed L. Ashour Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico Studies Plants anatomy anti-tuberculous activity Lamiaceae morphology molecular docking <i>Premna odorata</i> secondary metabolites |
| title | Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico Studies |
| title_full | Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico Studies |
| title_fullStr | Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico Studies |
| title_full_unstemmed | Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico Studies |
| title_short | Morphology, Anatomy and Secondary Metabolites Investigations of <i>Premna odorata</i> Blanco and Evaluation of Its Anti-Tuberculosis Activity Using In Vitro and In Silico Studies |
| title_sort | morphology anatomy and secondary metabolites investigations of i premna odorata i blanco and evaluation of its anti tuberculosis activity using in vitro and in silico studies |
| topic | anatomy anti-tuberculous activity Lamiaceae morphology molecular docking <i>Premna odorata</i> secondary metabolites |
| url | https://www.mdpi.com/2223-7747/10/9/1953 |
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