Exploring the aroma profile and biomedical applications of Scutellaria nuristanica Rech. F.: A new insight as a natural remedy.

Autor: Shah M; State Key Laboratory of Desert and Oasis Ecology, Key Laboratory of Ecological Safety and Sustainable Development in Arid Lands, Xinjiang Institute of Ecology and Geography, Chinese Academy of Sciences, Urumqi, Xinjiang, China; Department of Botany, University of Swabi, Swabi, Khyber Pakhtunkhwa 23320, Pakistan; Department of Botany, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan; Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al M0uz, Nizwa 616, Oman., Shahab M; Department of Botany, University of Malakand Chakdara, Chakdara 18800, Pakistan., Ullah S; Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al M0uz, Nizwa 616, Oman., Bibi S; Department of Biosciences, Shifa Tameer-e-Millat University, Islamabad 41000, Pakistan; Department of Health Sciences, Novel Global Community Educational Foundation, Hebersham, NSW 2770, Australia., Rahman NU; Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al M0uz, Nizwa 616, Oman., Jamil J; Department of Microbiology, University of Swabi, Swabi, Khyber Pakhtunkhwa 23320, Pakistan., Arafat Y; State Key Laboratory of Desert and Oasis Ecology, Key Laboratory of Ecological Safety and Sustainable Development in Arid Lands, Xinjiang Institute of Ecology and Geography, Chinese Academy of Sciences, Urumqi, Xinjiang, China., Al-Harrasi A; Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al M0uz, Nizwa 616, Oman., Murad W; Department of Botany, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan., Shao H; State Key Laboratory of Desert and Oasis Ecology, Key Laboratory of Ecological Safety and Sustainable Development in Arid Lands, Xinjiang Institute of Ecology and Geography, Chinese Academy of Sciences, Urumqi, Xinjiang, China. Electronic address: shaohua@ms.xjb.ac.cn.
Jazyk: angličtina
Zdroj: Phytomedicine : international journal of phytotherapy and phytopharmacology [Phytomedicine] 2024 Oct; Vol. 133, pp. 155928. Date of Electronic Publication: 2024 Aug 03.
DOI: 10.1016/j.phymed.2024.155928
Abstrakt: Background: The Scutellaria genus has promising therapeutic capabilities as an aromatherapy. Based on that and local practices of S. nuristanica Rech. F. The essential oil was studied for the first time for its diverse biomedical applications.
Purpose: This study aimed to evaluate and validate their therapeutic capabilities by screening the essential oil ingredients and examining their antimicrobial, antioxidant, carbonic anhydrase, and antidiabetic using further In silico assessment and In vivo anti-inflammatory and analgesic capabilities to devise novel sources as natural remedies alternative to the synthetic drugs.
Methods: Essential oil was obtained through hydrodistillation, and the constituents were profiled using GC-MS. The antimicrobial assessment was conducted using an agar well diffusion assay. Free radical scavenging capabilities were determined by employing DPPH and ABTS assay. The carbonic anhydrase-II was examined using colorimetric assay, while the antidiabetic significance was performed using α-Glucosidase assay. The anti-inflammatory significance was examined through carrageenan-induced paw edema, and the analgesic features of the essential oil were determined using an acetic acid-induced writhing assay.
Results: Fifty constituents were detected in S. nuristanica essential oil (SNEO), contributing 95.93 % of the total EO, with the predominant constituents being 24-norursa-3,12-diene (10.12 %), 3-oxomanoyl oxide (9.94 %), methyl 7-abieten-18-oate (8.85 %). SNEO presented significance resistance against the Gram-positive bacterial strains (GPBSs), Bacillus atrophaeus and Bacillus subtilis, as compared to the Salmonella typhi and Klebsiella pneumoniae, Gram-negative bacterial strains (GNBSs) as well as two fungal strains Aspergillus parasiticus and Aspergillus niger associated with their respective standards. Considerable free radical scavenging capacity was observed in DPPH compared to the ABTS assay when correlated with ascorbic acid. In addition, when equated with their standards, SNEO offered considerable in vitro carbonic anhydrase II and antidiabetic capabilities. Additionally, the antidiabetic behavior of the 9 dominant compounds of SNEO was tested via In silico techniques, such as molecular docking, which assisted in the assessment of the significance of binding contacts of protein with each chemical compound and pharmacokinetic evaluations to examine the drug-like characteristics. Molecular dynamic simulations at 100 ns and binding free energy evaluations such as PBSA and GBSA models explain the molecular mechanics and stability of molecular complexes. It was also observed that SNEO depicted substantial anti-inflammatory and analgesic capabilities.
Conclusion: Hence, it was concluded that the SNEO comprises bioactive ingredients with biomedical significance, such as anti-microbial, antioxidant, CA-II, antidiabetic, anti-inflammatory, and analgesic agents. The computational validation also depicted that SNEO could be a potent source for the discovery of anti-diabetic drugs.
Competing Interests: Declaration of competing interest The authors declare that they have no known conflict of interest.
(Copyright © 2024 Elsevier GmbH. All rights reserved.)
Databáze: MEDLINE
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