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

• Published in: Phytomedicine (Stuttgart) 2024-10, Vol.133, p.155928, Article 155928
• Main Authors: Shah, Muddaser, Shahab, Muhammad, Ullah, Saeed, Bibi, Shabana, Rahman, Najeeb Ur, Jamil, Johar, Arafat, Yasir, Al-Harrasi, Ahmed, Murad, Waheed, Shao, Hua
• Format: Article
• Language: English
• Subjects: agar; analgesics; Analgesics - chemistry; Analgesics - pharmacology; Animals; Anti-Bacterial Agents - chemistry; Anti-Bacterial Agents - pharmacology; Anti-Infective Agents - chemistry; Anti-Infective Agents - pharmacology; Anti-Inflammatory Agents - chemistry; Anti-Inflammatory Agents - pharmacology; antioxidants; Antioxidants - chemistry; Antioxidants - pharmacology; Aromatherapy - methods; ascorbic acid; Aspergillus niger; Aspergillus parasiticus; Bacillus atrophaeus; Bacillus subtilis; carbonate dehydratase; Carrageenan; colorimetry; computer simulation; edema; Edema - drug therapy; Essential oil; essential oils; free radicals; fungi; Gas Chromatography-Mass Spectrometry; genus; Gibbs free energy; Gram-negative bacteria; Gram-positive bacteria; hydrodistillation; Hypoglycemic Agents - chemistry; Hypoglycemic Agents - pharmacology; In silico validations; In vitro screening; In vivo evaluation; Klebsiella pneumoniae; Male; mechanics; Mice; Molecular Docking Simulation; odors; Oils, Volatile - chemistry; Oils, Volatile - pharmacology; pharmacokinetics; Salmonella Typhi; Scutellaria; Scutellaria - chemistry; Scutellaria nuristanica; therapeutics
• ISSN: 0944-7113; 1618-095X; 1618-095X
• DOI: 10.1016/j.phymed.2024.155928

•Scutellaria nuristanica essential oil depicted significant in vitro antimicrobial, antioxidant, carbonic anhydrase, and antidiabetic capabilities.•SNEO also exhibited promising in vivo anti-inflammatory and analgesic significance.•The ADMET, molecular docking and molecular dynamic simulations profiling highlighted the potent antidiabetic constituents of the dominant SNEO compounds used against the α-Glucosidase enzyme. 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. 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. 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. 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 capabili