Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studies
Abstract Background The most common species in the Satureja genus is Satureja montana (family Lamiaceae). The present work aims to use the molecular docking study to predict the isolated constituents against an immune system immunomodulator and tested alcoholic extract as an in-vitro immunomodulator...
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| Format: | Article |
| Language: | English |
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BMC
2023-04-01
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| Series: | BMC Complementary Medicine and Therapies |
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| Online Access: | https://doi.org/10.1186/s12906-023-03913-0 |
| _version_ | 1797850212158406656 |
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| author | Khaled Abdelhady Abdelshafeek Abeer Fouad Osman Samar Mohamed Mouneir Ahmed Abdelmonem Elhenawy Walid Elsayed Abdallah |
| author_facet | Khaled Abdelhady Abdelshafeek Abeer Fouad Osman Samar Mohamed Mouneir Ahmed Abdelmonem Elhenawy Walid Elsayed Abdallah |
| author_sort | Khaled Abdelhady Abdelshafeek |
| collection | DOAJ |
| description | Abstract Background The most common species in the Satureja genus is Satureja montana (family Lamiaceae). The present work aims to use the molecular docking study to predict the isolated constituents against an immune system immunomodulator and tested alcoholic extract as an in-vitro immunomodulatory agent. Methods All isolated compound's structures were determined using various chromatographic and spectroscopic techniques. Anti-inflammatory and antioxidant profiles were studied for an alcoholic extract of the plant; the molecular docking study was performed for the isolated compounds (1–4). Results In this work, four recognized compounds were extracted from the ethyl acetate fraction of S. montana (Sm) methanolic extract and identified as two triterpenes ursolic acid (1) and oleanolic acid (2), one phenolic acid as ellagic acid (3), and one flavonoidal compound as isoscutellarein (4). The total alcoholic extract exhibited good in vitro anti-inflammatory, antioxidant, and apoptotic activity. Its IC50 was 10.12 compared to 15.1 μg/ml of standard celecoxib. It also showed potent antioxidant activity with IC50 10.4, 11.3, 14.6, and 22.3 IU/ml for SOD, MDA, catalase, and TAC, respectively. According to the drug similarity and ADMET tests, their ligands may have favorable pharmacokinetic characteristics with minimal carcinogenic influence. The molecular docking study was performed for the isolated compounds (1–4). Conclusions The alcoholic extract of the plant showed promising anti-inflammatory, antioxidant, and antiapoptotic properties. The theoretical studies for the isolated compounds showed promising binding affinity against all the examined enzymes. |
| first_indexed | 2024-04-09T18:56:44Z |
| format | Article |
| id | doaj.art-1490aac5af974b159a6834e0b1650682 |
| institution | Directory Open Access Journal |
| issn | 2662-7671 |
| language | English |
| last_indexed | 2024-04-09T18:56:44Z |
| publishDate | 2023-04-01 |
| publisher | BMC |
| record_format | Article |
| series | BMC Complementary Medicine and Therapies |
| spelling | doaj.art-1490aac5af974b159a6834e0b16506822023-04-09T11:07:55ZengBMCBMC Complementary Medicine and Therapies2662-76712023-04-0123111210.1186/s12906-023-03913-0Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studiesKhaled Abdelhady Abdelshafeek0Abeer Fouad Osman1Samar Mohamed Mouneir2Ahmed Abdelmonem Elhenawy3Walid Elsayed Abdallah4Chemistry of Medicinal Plants Department, Pharmaceutical and Drug Industries Research Institute, National Research CentreChemistry of Natural Compounds Department, Pharmaceutical and Drug Industries Research Institute, National Research CentreDepartment of Pharmacology, Faculty of Veterinary Medicine, Cairo UniversityChemistry Department, Faculty of Science, Al-Azhar UniversityChemistry of Medicinal Plants Department, Pharmaceutical and Drug Industries Research Institute, National Research CentreAbstract Background The most common species in the Satureja genus is Satureja montana (family Lamiaceae). The present work aims to use the molecular docking study to predict the isolated constituents against an immune system immunomodulator and tested alcoholic extract as an in-vitro immunomodulatory agent. Methods All isolated compound's structures were determined using various chromatographic and spectroscopic techniques. Anti-inflammatory and antioxidant profiles were studied for an alcoholic extract of the plant; the molecular docking study was performed for the isolated compounds (1–4). Results In this work, four recognized compounds were extracted from the ethyl acetate fraction of S. montana (Sm) methanolic extract and identified as two triterpenes ursolic acid (1) and oleanolic acid (2), one phenolic acid as ellagic acid (3), and one flavonoidal compound as isoscutellarein (4). The total alcoholic extract exhibited good in vitro anti-inflammatory, antioxidant, and apoptotic activity. Its IC50 was 10.12 compared to 15.1 μg/ml of standard celecoxib. It also showed potent antioxidant activity with IC50 10.4, 11.3, 14.6, and 22.3 IU/ml for SOD, MDA, catalase, and TAC, respectively. According to the drug similarity and ADMET tests, their ligands may have favorable pharmacokinetic characteristics with minimal carcinogenic influence. The molecular docking study was performed for the isolated compounds (1–4). Conclusions The alcoholic extract of the plant showed promising anti-inflammatory, antioxidant, and antiapoptotic properties. The theoretical studies for the isolated compounds showed promising binding affinity against all the examined enzymes.https://doi.org/10.1186/s12906-023-03913-0Satureja montanaLamiaceaeUrsolic acidFlavonoidsAnti-inflammatory activityMolecular docking |
| spellingShingle | Khaled Abdelhady Abdelshafeek Abeer Fouad Osman Samar Mohamed Mouneir Ahmed Abdelmonem Elhenawy Walid Elsayed Abdallah Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studies BMC Complementary Medicine and Therapies Satureja montana Lamiaceae Ursolic acid Flavonoids Anti-inflammatory activity Molecular docking |
| title | Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studies |
| title_full | Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studies |
| title_fullStr | Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studies |
| title_full_unstemmed | Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studies |
| title_short | Phytochemical profile, comparative evaluation of Satureja montana alcoholic extract for antioxidants, anti-inflammatory and molecular docking studies |
| title_sort | phytochemical profile comparative evaluation of satureja montana alcoholic extract for antioxidants anti inflammatory and molecular docking studies |
| topic | Satureja montana Lamiaceae Ursolic acid Flavonoids Anti-inflammatory activity Molecular docking |
| url | https://doi.org/10.1186/s12906-023-03913-0 |
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