Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential Oils
The present study explored chemical constituents of <i>Scutellaria edelbergii</i> essential oils (SEEO) for the first time, extracted through hydro-distillation, and screened them against the microbes and free radicals scavenging effect, pain-relieving, and anti-inflammatory potential em...
| Main Authors: | , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-08-01
|
| Series: | Antioxidants |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2076-3921/11/9/1723 |
| _version_ | 1827663999221628928 |
|---|---|
| author | Muddaser Shah Shabana Bibi Zul Kamal Jamal Nasser Al-Sabahi Tanveer Alam Obaid Ullah Waheed Murad Najeeb Ur Rehman Ahmed Al-Harrasi |
| author_facet | Muddaser Shah Shabana Bibi Zul Kamal Jamal Nasser Al-Sabahi Tanveer Alam Obaid Ullah Waheed Murad Najeeb Ur Rehman Ahmed Al-Harrasi |
| author_sort | Muddaser Shah |
| collection | DOAJ |
| description | The present study explored chemical constituents of <i>Scutellaria edelbergii</i> essential oils (SEEO) for the first time, extracted through hydro-distillation, and screened them against the microbes and free radicals scavenging effect, pain-relieving, and anti-inflammatory potential employing standard techniques. The SEEO ingredients were noticed via Gas Chromatography-Mass-Spectrometry (GC-MS) analysis and presented fifty-two bioactive compounds contributed (89.52%) with dominant volatile constituent; 3-oxomanoyl oxide (10.09%), 24-norursa-3,12-diene (8.05%), and methyl 7-abieten-18-oate (7.02%). The MTT assay via 96 well-plate and agar-well diffusion techniques against various microbes was determined for minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), IC<sub>50</sub>, and zone of inhibitions (ZOIs). The SEEO indicated considerable antimicrobial significance against tested bacterial strains viz. <i>Escherichia coli</i>, <i>Pseudomonas aeruginosa</i>, <i>Klebsiella pneumoniae</i>, and <i>Enterococcus faecalis</i> and the fungal strains <i>Fusarium oxysporum</i> and <i>Candida albicans</i>. The free radicals scavenging potential was noticed to be significant in 1,1-Diphenyl-2-picryl-hydrazyl (DPPH) as compared to 2,2′-azino-bis-3-ethylbenzotiazolin-6-sulfonic acid (ABTS) assays with IC<sub>50</sub> = 125.0 ± 0.19 µg/mL and IC<sub>50</sub> = 153.0 ± 0.31 µg/mL correspondingly; similarly, the antioxidant standard in the DPPH assay was found efficient as compared to ABTS assay. The SEEO also offered an appreciable analgesic significance and presented 54.71% in comparison with standard aspirin, 64.49% reduction in writhes, and an anti-inflammatory potential of 64.13%, as compared to the standard diclofenac sodium inhibition of 71.72%. The SEEO contain bioactive volatile ingredients with antimicrobial, free radical scavenging, pain, and inflammation relieving potentials. Computational analysis validated the anti-inflammatory potential of selected hit “methyl 7-abieten-18-oate” as a COX-2 enzyme inhibitor. Docking results were very good in terms of docked score (−7.8704 kcal/mol) and binding interactions with the functional residues; furthermore, MD simulation for 100 ns has presented a correlation with docking results with minor fluctuations. In silico, ADMET characteristics supported that methyl 7-abieten-18-oate could be recommended for further investigations in clinical tests and could prove its medicinal status as an anti-inflammatory drug. |
| first_indexed | 2024-03-10T00:53:08Z |
| format | Article |
| id | doaj.art-a19775fb901b408d8405737bee12505f |
| institution | Directory Open Access Journal |
| issn | 2076-3921 |
| language | English |
| last_indexed | 2024-03-10T00:53:08Z |
| publishDate | 2022-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Antioxidants |
| spelling | doaj.art-a19775fb901b408d8405737bee12505f2023-11-23T14:47:53ZengMDPI AGAntioxidants2076-39212022-08-01119172310.3390/antiox11091723Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential OilsMuddaser Shah0Shabana Bibi1Zul Kamal2Jamal Nasser Al-Sabahi3Tanveer Alam4Obaid Ullah5Waheed Murad6Najeeb Ur Rehman7Ahmed Al-Harrasi8Department of Botany, Abdul Wali Khan University Mardan, Mardan 23200, PakistanDepartment of Biosciences, Shifa Tameer-e-Millat University, Islamabad 44000, PakistanDepartment of Pharmacy, Shaheed Benazir Bhutto University, Upper Dir 18000, PakistanCentral Instrument Laboratory, College of Agriculture and Marine Sciences, Sultan Qaboos University, Muscat 123, OmanNatural and Medical Sciences Research Center, University of Nizwa, Birkat Al-Mauz, P.O. Box 33, Nizwa 616, OmanNatural and Medical Sciences Research Center, University of Nizwa, Birkat Al-Mauz, P.O. Box 33, Nizwa 616, OmanDepartment of Botany, Abdul Wali Khan University Mardan, Mardan 23200, PakistanNatural and Medical Sciences Research Center, University of Nizwa, Birkat Al-Mauz, P.O. Box 33, Nizwa 616, OmanNatural and Medical Sciences Research Center, University of Nizwa, Birkat Al-Mauz, P.O. Box 33, Nizwa 616, OmanThe present study explored chemical constituents of <i>Scutellaria edelbergii</i> essential oils (SEEO) for the first time, extracted through hydro-distillation, and screened them against the microbes and free radicals scavenging effect, pain-relieving, and anti-inflammatory potential employing standard techniques. The SEEO ingredients were noticed via Gas Chromatography-Mass-Spectrometry (GC-MS) analysis and presented fifty-two bioactive compounds contributed (89.52%) with dominant volatile constituent; 3-oxomanoyl oxide (10.09%), 24-norursa-3,12-diene (8.05%), and methyl 7-abieten-18-oate (7.02%). The MTT assay via 96 well-plate and agar-well diffusion techniques against various microbes was determined for minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), IC<sub>50</sub>, and zone of inhibitions (ZOIs). The SEEO indicated considerable antimicrobial significance against tested bacterial strains viz. <i>Escherichia coli</i>, <i>Pseudomonas aeruginosa</i>, <i>Klebsiella pneumoniae</i>, and <i>Enterococcus faecalis</i> and the fungal strains <i>Fusarium oxysporum</i> and <i>Candida albicans</i>. The free radicals scavenging potential was noticed to be significant in 1,1-Diphenyl-2-picryl-hydrazyl (DPPH) as compared to 2,2′-azino-bis-3-ethylbenzotiazolin-6-sulfonic acid (ABTS) assays with IC<sub>50</sub> = 125.0 ± 0.19 µg/mL and IC<sub>50</sub> = 153.0 ± 0.31 µg/mL correspondingly; similarly, the antioxidant standard in the DPPH assay was found efficient as compared to ABTS assay. The SEEO also offered an appreciable analgesic significance and presented 54.71% in comparison with standard aspirin, 64.49% reduction in writhes, and an anti-inflammatory potential of 64.13%, as compared to the standard diclofenac sodium inhibition of 71.72%. The SEEO contain bioactive volatile ingredients with antimicrobial, free radical scavenging, pain, and inflammation relieving potentials. Computational analysis validated the anti-inflammatory potential of selected hit “methyl 7-abieten-18-oate” as a COX-2 enzyme inhibitor. Docking results were very good in terms of docked score (−7.8704 kcal/mol) and binding interactions with the functional residues; furthermore, MD simulation for 100 ns has presented a correlation with docking results with minor fluctuations. In silico, ADMET characteristics supported that methyl 7-abieten-18-oate could be recommended for further investigations in clinical tests and could prove its medicinal status as an anti-inflammatory drug.https://www.mdpi.com/2076-3921/11/9/1723<i>S. edelbergii</i>essential oilsGC-MS analysisin vitro and in vivo biological activities |
| spellingShingle | Muddaser Shah Shabana Bibi Zul Kamal Jamal Nasser Al-Sabahi Tanveer Alam Obaid Ullah Waheed Murad Najeeb Ur Rehman Ahmed Al-Harrasi Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential Oils Antioxidants <i>S. edelbergii</i> essential oils GC-MS analysis in vitro and in vivo biological activities |
| title | Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential Oils |
| title_full | Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential Oils |
| title_fullStr | Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential Oils |
| title_full_unstemmed | Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential Oils |
| title_short | Bridging the Chemical Profile and Biomedical Effects of <i>Scutellaria edelbergii</i> Essential Oils |
| title_sort | bridging the chemical profile and biomedical effects of i scutellaria edelbergii i essential oils |
| topic | <i>S. edelbergii</i> essential oils GC-MS analysis in vitro and in vivo biological activities |
| url | https://www.mdpi.com/2076-3921/11/9/1723 |
| work_keys_str_mv | AT muddasershah bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT shabanabibi bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT zulkamal bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT jamalnasseralsabahi bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT tanveeralam bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT obaidullah bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT waheedmurad bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT najeeburrehman bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils AT ahmedalharrasi bridgingthechemicalprofileandbiomedicaleffectsofiscutellariaedelbergiiiessentialoils |