Development and Validation of a Gas Chromatography–Mass Spectrometry Method for the Analysis of the Novel Plant-Based Substance with Antimicrobial Activity

Filatov, Viktor A.; Ilin, Egor A.; Kulyak, Olesya Yu.; Kalenikova, Elena I.

doi:10.3390/antibiotics12101558

Cited by 2 publications

(4 citation statements)

References 71 publications

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“…Определение полного химического состава комбинированной субстанции растительного происхождения и количественное определение компонентов проводились методом ГХ-МС с использованием для расчета процентной нормализации [35] в соответствии с требованиями ОФС.1.2.1.2.0004.15 «Газовая хроматография» Государственной фармакопеи (ГФ) XIV издания 1 . Проверку пригодности хроматографической системы проводили в соответствии с ОФС.1.5.2.0001.15 «Эфирные масла» 2 .…”

Section: оценка подлинности и количественное определение субстанции м...unclassified

“…Условия хроматографирования: газовый хроматограф Shimadzu GCMS-TQ8040 с автосамплером AOC-5000 Plus и масс-детектором Shimadzu QP2010 Ultra (Япония); хроматографическая колонка HP-INNOWax, 30 м × 0,25 мм, 0,25 мкм; газ-носитель -гелий; деление потока -1 : 40; скорость потока газа-носителя -1,5 мл/мин; температура инжектора -240 °C; программа градиента температур термостата колонки: 0-1 мин -80 °C, подъем температуры со скоростью 10 °C/мин до 140 °C, затем подъем температуры со скоростью 20 °C/мин до 240 °C, выдерживание при конечной температуре 240 °C в течение 10 мин. Объем вводимой пробы составил 1 мкл [35]. Оценку количественного содержания компонентов субстанции проводили методом внутренней нормализации, устанавливая пределы процентного содержания компонентов в субстанции.…”

Section: оценка подлинности и количественное определение субстанции м...unclassified

“…Подбор подвижных фаз для аналитической методики ТСХ осуществляли на основе научных данных о ТСХ многокомпонентных субстанций и их индивидуальных соединений [39,40] В субстанции превалируют монотерпены и различные терпеноиды (таблица 2). β-Бисаболол, фарнезол и транс-геранилгераниол являются родственными примесями α-(-)-бисаболола [35]. Хорошее разделение соединений в комбинированной субстанции обусловлено выбранными условиями хроматографирования и детектирования.…”

Section: результаты и обсуждениеunclassified

“…Eur. 11.0, ГФ XIV издания и параметрами рекомендаций ICH 1, 2 для последующего химического анализа и контроля качества субстанции в лабораторных условиях [35].…”

Section: результаты и обсуждениеunclassified

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Algorithm for the development of a multicomponent pharmaceutical substance of plant origin with antimicrobial action: from science search to dosage form

Filatov,

Kulyak,

Kalenikova

2024

Razrabotka i registraciâ lekarstvennyh sredstv

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Introduction. Despite the proven clinical efficacy of antifungal and anti-inflammatory drugs for the prevention and treatment of seborrheic dermatitis, the search for new targets and the development of new substances with a beneficial effect on the scalp microflora, with a low risk of antimicrobial resistance and adverse effects, are relevant.Aim. Development of the antimicrobial multicomponent pharmaceutical substance of plant origin in stages: from a literature search for promising substances, analysis of their composition by GC-MS, in silico evaluation of the affinity of individual components to pathogenetic targets, selection of the optimal composition of a multicomponent substance based on the results of in vitro research of antimicrobial action and the making of a medical dosage form based on it – a medicinal shampoo for the treatment of seborrheic dermatitis.Materials and methods. Objects of research: tea tree essential oil, 1,8-cineole, α-(-)-bisabolol and the multicomponent substance based on them. Methods: molecular docking (AutoDock version 4.2), prediction of pharmacological activity (Phyto4Health), TLC, GC-MS, study of antimicrobial activity in vitro.Results and discussion. Based on the results of a literature search, 3 promising substances were selected for the development of a multicomponent plant-based substance: tea tree essential oil, 1,8-cineole and α-(-)-bisabolol. Molecular docking predicted the targeted activity of the phytochemicals of tea tree essential oil, 1,8-cineole and α-(-)-bisabolol on the domains of ABC-transporters of microorganisms involved in the pathogenesis of seborrheic dermatitis and justified the possibility of use for therapy. The multicomponent substance has been developed based on tea tree essential oil, 1,8-cineole and α-(-)-bisabolol in a mass ratio of 1 : 1 : 1. The qualitative composition of the substance was assessed by TLC and GC-MS methods, and 15 terpenes were quantitatively identified in its composition with a predominance of terpinen-4-ol (16.98 %), 1,8-cineole (25.63 %) and α-(-)-bisabolol (27.67 %). The synergistic antimicrobial activity of the substance has been established against S. epidermidis, S. aureus, C. albicans and M. furfur in comparison with benzalkonium chloride, ketoconazole and climbazole. The composition of a new medical shampoo based on the investigated substance has been developed, which has a pronounced antifungal effect (more than 99.0 %) against M. furfur without visible suppression of normal microflora. For the novel substance of plant origin and medical shampoo, quality parameters were assessed in accordance with the Russian Pharmacopoeia of XIV edition.Conclusion. A substance of plant origin with synergistic and targeted antimicrobial activity has been developed. It has an interest for further study as a drug and API for new products for the treatment of seborrheic dermatitis.

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Section: оценка подлинности и количественное определение субстанции м...unclassified

Section: результаты и обсуждениеunclassified

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Algorithm for the development of a multicomponent pharmaceutical substance of plant origin with antimicrobial action: from science search to dosage form

Filatov,

Kulyak,

Kalenikova

2024

Razrabotka i registraciâ lekarstvennyh sredstv

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Turmeric–Black Cumin Essential Oils and Their Capacity to Attenuate Free Radicals, Protein Denaturation, and Cancer Proliferation

Oriola

2024

Molecules

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Turmeric rhizomes (Curcuma longa) and black cumin seeds (Nigella sativa) are polyherbal ingredients used for the management of cancer and other chronic inflammatory diseases in Nigerian ethnomedicine. Previous studies have shown the antioxidant, anti-inflammatory, and anticancer activities of the individual plant extracts. However, the two spices have not been biologically potentiated in their combined form. Therefore, this study obtained essential oils (EOs) from the combined spices and evaluated their inhibitory effects on free radicals, protein denaturation, and cancer proliferation. The EOs were extracted by hydro-distillation (HD) and characterized by gas chromatography-mass spectrometry (GC-MS). In vitro antioxidant assessment was conducted based on DPPH, hydrogen peroxide (H2O2), nitric oxide (NO), and ferric ion (Fe3+) radical scavenging assays. The cytotoxicity of the oil against non-tumorigenic (HEK293) and cancerous (HepG2 and HeLa) cell lines was determined following the MTT cell viability assay. An in silico molecular docking analysis of the oil constituents was also performed. Six batches of EOs I–VI were afforded, comprising twenty-two major constituents, with aromatic Ar-turmerone being the most prominent compound. There was a marked improvement in the bioactivity of the oils upon repeated HD and as a combination. The batch VI oil exhibited the best activity, with a cytotoxicity (CC50) of 10.16 ± 1.69 µg/100 µL against the HepG2 cell line, which was comparable to 5-fluorouracil (standard, CC50 = 8.59 ± 1.33 µg/100 µL). In silico molecular docking suggested δ-curcumene, Ar-curcumene, Ar-turmerol, and Ar-turmerone among the promising compounds based on their high binding energy scores with NOX2, NF-κB, and mdm2 proteins. In conclusion, the oils from the turmeric–black cumin combined possess a considerable inhibition ability against free radicals, protein denaturation, and cancer proliferation. This study’s findings further underscore the effectiveness of turmeric–black cumin as a polyherbal medicinal ingredient.

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Development and Validation of a Gas Chromatography–Mass Spectrometry Method for the Analysis of the Novel Plant-Based Substance with Antimicrobial Activity

Cited by 2 publications

References 71 publications

Algorithm for the development of a multicomponent pharmaceutical substance of plant origin with antimicrobial action: from science search to dosage form

Algorithm for the development of a multicomponent pharmaceutical substance of plant origin with antimicrobial action: from science search to dosage form

Turmeric–Black Cumin Essential Oils and Their Capacity to Attenuate Free Radicals, Protein Denaturation, and Cancer Proliferation

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