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1.
Crit Rev Food Sci Nutr ; 63(29): 10217-10229, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-35549783

RESUMO

This review article depicts the possible replacement of staple cereal sources with some pseudocereals like Chia, Quinoa, Buckwheat, and Amaranth, which not only provide recommended daily allowance of all nutrients but also help to reduce the chances of many non-communicable infections owing to the presence of several bioactive compounds. These pseudocereals are neglected plant seeds and should be added in our routine diet. Besides, they can serve as nutraceuticals in combating various diseases by improving the health status of the consumers. The bioactive compounds like rutin, quercetin, peptide chains, angiotensin I, and many other antioxidants present in these plant seeds help to reduce the oxidative stress in the body which leads toward better health of the consumers. All these pseudocereals have high quantity of soluble fiber which helps to regulate bowel movement, control hypercholesterolemia (presence of high plasma cholesterol levels), hypertension (high blood pressure), and cardiovascular diseases. The ultimate result of consumption of pseudocereals either as a whole or in combination with true cereals as staple food may help to retain the integrity of the human body which increases the life expectancy by slowing down the aging process.


Assuntos
Grão Comestível , Sementes , Humanos , Sementes/química , Grão Comestível/química , Antioxidantes/análise , Suplementos Nutricionais , Dieta
2.
Bioorg Chem ; 133: 106404, 2023 04.
Artigo em Inglês | MEDLINE | ID: mdl-36812829

RESUMO

New phthalazone tethered 1,2,3-triazole derivatives 12-21 were synthesized utilizing the Cu(I)-catalyzed click reactions of alkyne-functionalized phthalazone 1 with functionalized azides 2-11. The new phthalazone-1,2,3-triazoles structures 12-21 were confirmed by different spectroscopic tools, like IR; 1H, 13C, 2D HMBC and 2D ROESY NMR; EI MS, and elemental analysis. The antiproliferative efficacy of the molecular hybrids 12-21 against four cancer cell lines was evaluated, including colorectal cancer, hepatoblastoma, prostate cancer, breast adenocarcinoma, and the normal cell line WI38. The antiproliferative assessment of derivatives 12-21 showed potent activity of compounds 16, 18, and 21 compared to the anticancer drug doxorubicin. Compound 16 showed selectivity (SI) towardthe tested cell lines ranging from 3.35 to 8.84 when compared to Dox., that showed SI ranged from 0.75 to 1.61. Derivatives 16, 18 and 21 were assessed towards VEGFR-2 inhibitory activity and result in that derivative 16 showed the potent activity (IC50 = 0.123 µM) in comparison with sorafenib (IC50 = 0.116 µM). Compound 16 caused an interference with the cell cycle distribution of MCF7 and increased the percentage of cells in S phase by 1.37-fold. In silico molecular docking of the effective derivatives 16, 18, and 21 against vascular endothelial growth factor receptor-2 (VEGFR-2) confirmed the formation of stable protein-ligand interactions within the pocket.


Assuntos
Antineoplásicos , Receptor 2 de Fatores de Crescimento do Endotélio Vascular , Humanos , Antineoplásicos/farmacologia , Antineoplásicos/química , Linhagem Celular Tumoral , Proliferação de Células , Ensaios de Seleção de Medicamentos Antitumorais , Simulação de Acoplamento Molecular , Estrutura Molecular , Inibidores de Proteínas Quinases/farmacologia , Relação Estrutura-Atividade , Triazóis/farmacologia , Triazóis/química , Fator A de Crescimento do Endotélio Vascular/farmacologia , Receptor 2 de Fatores de Crescimento do Endotélio Vascular/antagonistas & inibidores
3.
Molecules ; 28(20)2023 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-37894504

RESUMO

Essential oils are naturally occurring multicomponent combinations of isoprenoids with distinctive odors that are produced by aromatic plants from mevalonic acid. They are extensively applied in aromatherapy for the treatment of various ailments. To investigate the potential therapeutic value of the ingredients in Launaea mucronata essential oil (EO), gas chromatography-mass spectrometry (GC-MS) analysis was used for essential oil characterization. Then, 2,2-diphenyl-1-picrylhydrazyl (DPPH), ß-carotene/linoleic acid, and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays were used to evaluate the antioxidants. A 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay was used to estimate the cytotoxicity. Following a thorough analysis of the GC-MS chromatogram, 87 components representing 97.98% of the entire EO mixture were identified. N-eicosane (10.92%), 2E,6Z-farnesol (10.74%), and 2Z,6E-farnesyl acetone (46.35%) were determined to be the major components of the oil. When the produced EO was evaluated for its antioxidant properties, it showed a strong inhibitory effect (%) of 65.34 at a concentration of 80 µg/mL. The results (g/mL) showed a positive response against the tested cell lines for HCT-116, MCF-7, and HepG2 (8.45, 10.24, and 6.78 g/mL, respectively). A high-concentration mixture of deadly components consisting of farnesol, bisabolol, eicosane, and farnesyl acetone may be responsible for this significant cytotoxic action, which was especially noticeable in the HepG2 cell line. Molecular docking occurred between farnesol and farnesyl acetone with the target residues of topoisomerases I and II, CDK4/cyclD1, and Aurora B kinases; these showed binding free energies ranging from -4.5 to -7.4 kcal/mol, thus demonstrating their antiproliferative action. In addition, farnesol and farnesyl acetone fulfilled most of the ADME and drug-likeness properties, indicating their activity.


Assuntos
Antineoplásicos , Asteraceae , Óleos Voláteis , Óleos Voláteis/farmacologia , Óleos Voláteis/química , Antioxidantes/farmacologia , Antioxidantes/química , Farneseno Álcool , Arábia Saudita , Acetona , Simulação de Acoplamento Molecular , Linhagem Celular Tumoral , Antineoplásicos/farmacologia , Asteraceae/química
4.
Molecules ; 27(9)2022 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-35566313

RESUMO

Mentha is an aromatic plant used since antiquity for its pharmaceutical virtues. The climate of Saudi Arabia favors the growth of aromatic plants including Mentha suaveolens L. The aim of this study is to analyze the volatile oils of different parts of fresh and dried Mentha suaveolens L. grown in Saudi Arabia (Aljouf area) using Gas Chromatography/Mass Spectrometry (GC/MS) and Gas Chromatography Flame Ionization Detector (GC/FID) techniques, to recognize the effect of drying on chemical composition, then to evaluate the antioxidant and antifungal activities of different extracts. In total, 118 compounds were identified via GC/MS and GC/FID, in which carvone is the main volatile constituent (stems, leaves, whole plant 45-64%). This investigation deduces that Mentha belonged to the carvone chemotype. Then, the analysis of non-volatile constituents of fresh and dried Mentha was performed by HPLC. The main phenolic compound of fresh and dried Mentha for different parts was rosmarinic acid (ranging from 28,002.5 to 6558 µg/g). The ethanolic extract of fresh stem showed the highest antifungal activity (53% inhibition) compared with miconazole (60% inhibition) but the ethanoic extract of dry stem showed no activity. Additionally, all ethanolic extracts, whether for fresh or dry Mentha, have antioxidant activity more than 90% while the antioxidant activity of whole plant volatile oil is equal to 53.33%. This research shows that M. suaveolens L. could be applied to manufacture natural antioxidants, antifungal, and flavoring agents.


Assuntos
Mentha , Óleos Voláteis , Antifúngicos/química , Antioxidantes/química , Cromatografia Gasosa-Espectrometria de Massas , Mentha/química , Óleos Voláteis/química , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Arábia Saudita
5.
Molecules ; 27(4)2022 Feb 09.
Artigo em Inglês | MEDLINE | ID: mdl-35208952

RESUMO

For most researchers, discovering new anticancer drugs to avoid the adverse effects of current ones, to improve therapeutic benefits and to reduce resistance is essential. Because the COX-2 enzyme plays an important role in various types of cancer leading to malignancy enhancement, inhibition of apoptosis, and tumor-cell metastasis, an indispensable objective is to design new scaffolds or drugs that possess combined action or dual effect, such as kinase and COX-2 inhibition. The start compounds A1 to A6 were prepared through the diazo coupling of 3-aminoacetophenone with a corresponding phenol and then condensed with two new chalcone series, C7-18. The newly synthesized compounds were assessed against both COX-2 and epidermal growth factor receptor (EGFR) for their inhibitory effect. All novel compounds were screened for cytotoxicity against five cancer cell lines. Compounds C9 and G10 exhibited potent EGFR inhibition with IC50 values of 0.8 and 1.1 µM, respectively. Additionally, they also displayed great COX-2 inhibition with IC50 values of 1.27 and 1.88 µM, respectively. Furthermore, the target compounds were assessed for their cytotoxicity against pancreatic ductal cancer (Panc-1), lung cancer (H-460), human colon cancer (HT-29), human malignant melanoma (A375) and pancreatic cancer (PaCa-2) cell lines. Interestingly, compounds C10 and G12 exhibited the strongest cytotoxic effect against PaCa-2 with average IC50 values of 0.9 and 0.8 µM, respectively. To understand the possible binding modes of the compounds under investigation with the receptor cites of EGFR and COX-2, a virtual docking study was conducted.


Assuntos
Antineoplásicos , Chalconas , Inibidores de Ciclo-Oxigenase 2 , Proteínas de Neoplasias , Neoplasias , Inibidores de Proteínas Quinases , Antineoplásicos/síntese química , Antineoplásicos/química , Antineoplásicos/farmacologia , Linhagem Celular Tumoral , Chalconas/síntese química , Chalconas/química , Chalconas/farmacologia , Inibidores de Ciclo-Oxigenase 2/síntese química , Inibidores de Ciclo-Oxigenase 2/química , Inibidores de Ciclo-Oxigenase 2/farmacologia , Ensaios de Seleção de Medicamentos Antitumorais , Receptores ErbB/antagonistas & inibidores , Humanos , Estrutura Molecular , Proteínas de Neoplasias/antagonistas & inibidores , Proteínas de Neoplasias/metabolismo , Neoplasias/tratamento farmacológico , Neoplasias/enzimologia , Inibidores de Proteínas Quinases/síntese química , Inibidores de Proteínas Quinases/química , Inibidores de Proteínas Quinases/farmacologia
6.
Cell Mol Biol (Noisy-le-grand) ; 67(1): 40-44, 2021 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-34817370

RESUMO

Propolis is a highly adhesive and resinous product of honey bee (Apis mellifera L.) which is produced from the exudations of plants. Bee propolis being a source of bioactive compounds like polyphenols and flavonoids imparts numerous biological properties including, antioxidant, anti-inflammatory, antimicrobial and anticancer activities. Present study was designed to elucidate the composition and antioxidant status of locally available propolis using in-vitro conditions. Propolis collected from locally found apiaries and its hydroalcoholic extract of propolis was prepared using different concentrations of ethanol and methanol. The results regarding proximate composition of propolis showed a higher proportion of ether extract (85.59±0.87%) and lowest contents of crude fiber (0.31±0.08%). Among the mineral's sodium, potassium and calcium was found in a concentration of 11.33±0.91, 52.10±2.9 and 10.53±0.83.59±0.23mg/Kg respectively whilst zinc was noticed as 3.59±0.23mg/Kg. HPLC characterization indicates a highest concentration of Chlorogenic acid 31.80±2.56mg/Kg whereas gallic acid (0.21±0.01mg/Kg) was found in lowest concentration among the polyphenols. Ethanol extract represents more phenolic contents, DPPH activity and antioxidant status as 327.30±14.89mg/gGAE, 73.18±4.43% and 60.59±4.38% accordingly in comparison to methanol and water extract. Bee propolis found an effective source of natural antioxidants which retards the production of free radicals and reactive oxygen species thus help to cope oxidative stress.


Assuntos
Antioxidantes/farmacologia , Abelhas/química , Cromatografia Líquida de Alta Pressão/métodos , Própole/análise , Própole/farmacologia , Animais , Anti-Infecciosos/análise , Anti-Infecciosos/química , Anti-Infecciosos/farmacologia , Antioxidantes/análise , Antioxidantes/química , Flavonoides/análise , Flavonoides/farmacologia , Sequestradores de Radicais Livres/análise , Sequestradores de Radicais Livres/química , Sequestradores de Radicais Livres/farmacologia , Estresse Oxidativo/efeitos dos fármacos , Paquistão , Fenóis/análise , Fenóis/farmacologia , Polifenóis/análise , Polifenóis/farmacologia , Própole/química
7.
Cell Mol Biol (Noisy-le-grand) ; 67(1): 32-39, 2021 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-34817371

RESUMO

Human diets with functional ingredients showed promising role in management of diseases of modern age like hyperglycemia and hyperlipidemia and even cancer. The study designed to elucidate role of honeybee propolis for management of hyperglycemia and hyperlipidemia states through animal modeling system. Hydroalcoholic extract of propolis was used for development of functional drink with standard recipe and addition of specified dose of extracts (400mg/500mL). Animals were grouped into three studies including study-I fed on regular diet, study-II fed on sucrose enrich diet and study-III fed on diet enriched with cholesterol and monitored to evaluate the results. Various parameters like feed consumption, liquid intake of animals measured regularly whereas body weight recorded at the end of each week of study. At the end of the study animals were analyzed for different blood indicators like blood lipid indices (cholesterol, LDL, HDL concentration and triglyceride contents)), glucose concentration and insulin contents as well. The maximum feed and drink intake were examined in animals, fed with control diet whereas a non substantial mode of intake was recorded in rest of two groups of animals. The consumption of honeybee propolis based drink reduced cholesterol (6.63% to 10.25%) and LDL (9.96% to 11.23%), whilst a sharp increase in HDL level was ranged as 4.12 to 4.49% among animal groups fed with high cholesterol and high sucrose diet. Blood glucose level was decreased by 10.25% and 6.98% however 6.99% and 4.51% increase were observed in plasma insulin level in both studies, study-II and study-III correspondingly. The overall findings of the study showed that drinks prepared using propolis of propolis found effective for management of hyperglycemia and hypercholesterolemia in present animal modelling system.


Assuntos
Modelos Animais de Doenças , Hiperglicemia/prevenção & controle , Hiperlipidemias/prevenção & controle , Própole/farmacologia , Animais , Anti-Infecciosos/farmacologia , Glicemia/metabolismo , Peso Corporal/efeitos dos fármacos , Colesterol/sangue , Humanos , Hiperglicemia/sangue , Hiperlipidemias/sangue , Insulina/sangue , Lipídeos/sangue , Lipoproteínas HDL/sangue , Lipoproteínas LDL/sangue , Ratos Sprague-Dawley , Triglicerídeos/sangue
8.
Environ Sci Pollut Res Int ; 30(17): 48793-48823, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-36879092

RESUMO

Bioactive textile materials are a promising field in the development of functional textiles. The integration of bioactive compounds, such as natural dyes, into textiles offers a range of benefits, including UV protection, anti-microbial properties, and insect repellency. Natural dyes have been shown to have bioactivity, and their integration into textiles has been extensively studied. The application of natural dyes on textile substrates will be an advantage for their inherent functional properties along with their non-toxic and eco-friendly nature. This review addresses the effect of natural dyes on surface modification of most used natural and synthetic fibers and its subsequent effects on their anti-microbial, UV protection and insect repellent properties with natural dyes. Natural dyes have proved to be environmentally friendly in an attempt to improve bioactive functions in textile materials. This review provides a clear view of sustainable resources for the dyeing and finishing of textiles to develop a cleaner pathway of bioactive textiles using natural dyes. Furthermore, the dye source, advantages and disadvantages of natural dye, main dye component, and chemical structure are listed. However, there is still a need for interdisciplinary research to further optimize the integration of natural dyes into textiles and to improve their bioactivity, biocompatibility, and sustainability. The development of bioactive textile materials using natural dyes has the potential to revolutionize the textile industry and to provide a range of benefits to consumers and society.


Assuntos
Corantes , Têxteis , Corantes/química , Indústria Têxtil
9.
Pharmaceuticals (Basel) ; 16(3)2023 Mar 20.
Artigo em Inglês | MEDLINE | ID: mdl-36986562

RESUMO

COVID-19 infection is now considered one of the leading causes of human death. As an attempt towards the discovery of novel medications for the COVID-19 pandemic, nineteen novel compounds containing 1,2,3-triazole side chains linked to phenylpyrazolone scaffold and terminal lipophilic aryl parts with prominent substituent functionalities were designed and synthesized via a click reaction based on our previous work. The novel compounds were assessed using an in vitro effect on the growth of SARS-CoV-2 virus-infested Vero cells with different compound concentrations: 1 and 10 µM. The data revealed that most of these derivatives showed potent cellular anti-COVID-19 activity and inhibited viral replication by more than 50% with no or weak cytotoxic effect on harboring cells. In addition, in vitro assay employing the SARS-CoV-2-Main protease inhibition assay was done to test the inhibitors' ability to block the common primary protease of the SARS-CoV-2 virus as a mode of action. The obtained results show that the one non-linker analog 6h and two amide-based linkers 6i and 6q were the most active compounds with IC50 values of 5.08, 3.16, and 7.55 µM, respectively, against the viral protease in comparison to data of the selective antiviral agent GC-376. Molecular modeling studies were done for compound placement within the binding pocket of protease which reveal conserved residues hydrogen bonding and non-hydrogen interactions of 6i analog fragments: triazole scaffold, aryl part, and linker. Moreover, the stability of compounds and their interactions with the target pocket were also studied and analyzed by molecular dynamic simulations. The physicochemical and toxicity profiles were predicted, and the results show that compounds behave as an antiviral activity with low or no cellular or organ toxicity. All research results point to the potential usage of new chemotype potent derivatives as promising leads to be explored in vivo that might open the door to rational drug development of SARS-CoV-2 Main protease potent medicines.

10.
J Biomol Struct Dyn ; 41(21): 12411-12425, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36661285

RESUMO

Treatment options for the management of breast cancer are still inadequate. This inadequacy is attributed to the lack of effective targeted medications, often resulting in the recurrence of metastatic disorders. Cumulative evidence suggests that epidermal growth factor receptor (EGFR-TK) and cyclin-dependent kinases-9 (CDK-9) overexpression correlates with worse overall survival in breast cancer patients. Pyranopyrazole and pyrazolone are privileged options for the development of anticancer agents. Inspired by this proven scientific fact, we report here the synthesis of two new series of suggested anticancer molecules incorporating both heterocycles together with their characterization by IR, 1H NMR, 13C NMR, 13C NMR-DEPT, and X-ray diffraction methods. An attempt to get the pyranopyrazole-gold complexes was conducted but unexpectedly yielded benzylidene-2,4-dihydro-3H-pyrazol-3-one instead. This unexpected result was confirmed by X-ray crystallographic analysis. All newly synthesized compounds were assessed for their anti-proliferative activity against two different human breast cancer cells, and the obtained results were compared with the reference drug Staurosporine. The target compounds revealed variable cytotoxicity with IC50 at a low micromolar range with superior selectivity indices. Target enzyme EGFR-TK and CDK-9 assays showed that compounds 22 and 23 effectively inhibited both biological targets with IC50 values of 0.143 and 0.121 µM, respectively. Molecular docking experiments and molecular dynamics simulation were also conducted to further rationalize the in vitro obtained results.Communicated by Ramaswamy H. Sarma.


Assuntos
Antineoplásicos , Neoplasias da Mama , Pirazolonas , Humanos , Feminino , Relação Estrutura-Atividade , Proliferação de Células , Cristalografia por Raios X , Simulação de Acoplamento Molecular , Linhagem Celular Tumoral , Receptores ErbB/metabolismo , Antineoplásicos/química , Neoplasias da Mama/patologia , Pirazolonas/farmacologia , Ensaios de Seleção de Medicamentos Antitumorais , Estrutura Molecular , Inibidores de Proteínas Quinases/farmacologia , Inibidores de Proteínas Quinases/química
11.
Rheumatol Ther ; 9(1): 151-174, 2022 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-34784014

RESUMO

INTRODUCTION: Osteoarthritis (OA) is a degenerative joint disease that impacts 3.3-3.6% of population globally with significant health and societal impact. The current study assessed the disease burden, treatment patterns, and healthcare resource utilisation (HCRU) and costs in patients with OA and subgroups of hip and/or knee OA, in Dubai, United Arab Emirates (UAE). METHODOLOGY: This retrospective longitudinal case-control study collected OA-related data from January 1, 2014 to May 31, 2020 from the Dubai Real-World Claims Database (DRWD). Adults aged at least 18 years old with OA diagnosis and at least two claims and continuous enrolment during the study period were included in the study. The patients with OA were 1:1 matched with individuals without OA. The patients with OA were divided into four cohorts on the basis of an a priori algorithm: OA of the hip and/or knee (cohort 1) and (difficult-to-treat) subsets of patients with moderate-to-severe OA of the hip and/or knee (cohort 2), inadequate response or inability to tolerate at least three pain-related medications (cohort 3), and contraindications to nonsteroidal anti-inflammatory drugs (NSAIDs) (cohort 4). RESULTS: Disease burden of OA in Dubai and HCRU and treatment costs in patients with OA were evaluated from January 1, 2014 to May 31, 2021. Patients were compared with matched controls in 1:1 ratio. The overall cohort comprised 11,651 patients with a median age of 48 years and predominantly male population (61.6%). HCRU was calculated for each cohort and it was highest (United States dollar [USD] 11,354.39) in cohort 4 (patients with contraindication to NSAIDS); in cohort 3 (inability to respond to at least three pain-related medications), USD 495.30 and USD 765.14 were spent on medication and procedures, respectively. Highest cost burden was seen in cohort 4, USD 3120.49 on consumables and USD 228.18 on services. CONCLUSION: Osteoarthritis imposes a substantial healthcare and economic burden in the UAE. The study findings elucidate the unmet need among patients with difficult-to-treat OA and inform development of new therapeutics to alleviate their burden.

12.
Food Sci Nutr ; 10(11): 3544-3561, 2022 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-36348778

RESUMO

Carvacrol is a major natural constituent and is significantly present as an essential oil in aromatic plants and is well known for its numerous biological activities. Therapeutic properties of carvacrol have been demonstrated as anti-oxidant, anticancer, diabetes prevention, cardioprotective, anti-obesity, hepatoprotective and reproductive role, antiaging, antimicrobial, and immunomodulatory properties. The carvacrol biosynthesis has been mediated through mevalonate pathway. Carvacrol has the anticancer ability against malignant cells via decreasing the expressions of matrix metalloprotease 2 and 9, inducing apoptosis, enhancing the expression of pro-apoptotic proteins, disrupting mitochondrial membrane, suppressing extracellular signal-regulated kinase 1/2 mitogen-activated protein kinase signal transduction, and also decreasing the phosphoinositide 3-kinase/protein kinase B. It also decreased the concentrations of alanine aminotransferase, alkaline phosphatase and aspartate aminotransferase, and gamma-glutamyl transpeptidase as well as also restored liver function, insulin level, and plasma glucose level. Carvacrol also has been found to exert antimicrobial activity against Staphylococcus aureus, Pseudomonas aeruginosa, Coagulase-negative staphylococcus, Salmonella spp., Enterococcus sp. Shigella, and Escherichia coli. The current review article summarizes the health-promoting perspectives of carvacrol through various pathways.

13.
Antibiotics (Basel) ; 11(12)2022 Nov 23.
Artigo em Inglês | MEDLINE | ID: mdl-36551340

RESUMO

Marine sponges create a wide range of bioactive secondary metabolites, as documented throughout the year. Several bioactive secondary metabolites were isolated from different members of Callyspongia siphonella species. This study aimed for isolation and structural elucidation of major metabolites in order to investigate their diverse bioactivities such as antimicrobial and anti-biofilm activities. Afterwards, a molecular docking study was conducted, searching for the possible mechanistic pathway of the most bioactive metabolites. Extraction, fractionation, and metabolomics analysis of different fractions was performed in order to obtain complete chemical profile. Moreover, in vitro assessment of different bioactivities was performed, using recent techniques. Additionally, purification, structural elucidation of high features using recent chromatographic and spectroscopic techniques was established. Finally, AutoDock Vina software was used for the Pharmacophore-based docking-based analysis. As a result, DCM (dichloromethane) fraction exerted the best antibacterial activity using disc diffusion method; particularly against S. aureus with an inhibition zone of 6.6 mm. Compound 11 displayed a considerable activity against both MRSA (Methicillin-resistant Staphyllococcus aureus) and Staphyllococcus aureus with inhibition ratios of 50.37 and 60.90%, respectively. Concerning anti-biofilm activity, compounds 1 and 2 displayed powerful activity with inhibition ratios ranging from 39.37% to 70.98%. Pharmacophore-based docking-based analysis suggested elongation factor G (EF-G) to be a probable target for compound 11 (siphonellinol C) that showed the best in vitro antibacterial activity, offering unexplored potential for new drugs and treatment candidates.

14.
Plants (Basel) ; 11(14)2022 Jul 18.
Artigo em Inglês | MEDLINE | ID: mdl-35890504

RESUMO

Origanum majoranum L. is a Lamiaceae medicinal plant with culinary and ethnomedical applications. Its biological and phytochemical profiles have been extensively researched. Accordingly, this study aimed to investigate the chemical composition and the antibacterial and antioxidant properties of O. majoranum high features, as well as to search for techniques for activity optimization. A metabolomics study of the crude extract of O. majoranum using liquid chromatography-high-resolution electrospray ionization mass spectrometry (LC ± HR ± ESI ± MS) was conducted. Five fractions (petroleum ether, dichloromethane, ethyl acetate, n-butanol, and aqueous) were derived from the total extract of the aerial parts. Different chromatographic methods and NMR analysis were utilized to purify and identify the isolated phenolics (high features). Moreover, the antimicrobial, antibiofilm, and antioxidant activity of phenolics were performed. Results showed that metabolomic profiling of the crude extract of O. majoranum aerial parts revealed the presence of a variety of phytochemicals, predominantly phenolics, resulting in the isolation and identification of seven high-feature compounds comprising two phenolic acids, rosmarinic and caffeic acids, one phenolic diterpene, 7-methoxyepirosmanol, in addition to four flavonoids, quercetin, hesperitin, hesperidin, and luteolin. On the other hand, 7-methoxyepirosmanol (OM1) displayed the most antimicrobial and antioxidant potential. Such a phenolic principal activity improvement seems to be established after loading on gold nanoparticles.

15.
Pharmaceuticals (Basel) ; 15(9)2022 Sep 10.
Artigo em Inglês | MEDLINE | ID: mdl-36145355

RESUMO

In this study new sulphamethoxazole derivatives (S1-S4, S6-S12, and S14-S22) were designed and synthesized and their structures were fully characterized and validated using NMR, mass, and IR spectroscopy, as well as elemental analyses. All new derivatives (S1-S22) were assayed against human carbonic anhydrase (hCAs IX and XII) for their inhibitory activities. hCAs IX and XII were chosen due to the fact that CAIX expression is recognized as a hypoxia marker with a poor prognosis in breast cancer. When compared to Dorzolamide HCl as a standard reference, derivatives S2, S3, S8, S9, and S15 had the most effective inhibition with low IC50 values. The active compounds were further evaluated against hCAs I and II inhibitory activity and compounds S8, S9 and S15 showed the least inhibitory effect compared to the reference standard, acetazolamide, indicating that their effect in normal cells is the lowest. Cell viability tests for the selected compounds were carried out on MCF7 (normoxia and hypoxia) and on the normal breast cell line (MCF10a) with Staurosporine as a standard. The results showed that compound S15 had a highly potent cytotoxic effect. Furthermore, cell cycle analysis results showed that compound S15 triggered cell cycle arrest and apoptosis in G1/S of MCF7 cancer cells. Finally, molecular docking was performed to point out the possible explanation for the vital structural features and key-interactions exerted by our ligands with hCAs IX and XII that might share additional designs and highlight possible leads for a hopeful anticancer agent. Consequently, sulphamethoxazole Derivative S15 could be the potential lead for emerging selective cytotoxic compounds directing h CAs IX and XII.

16.
Avicenna J Med ; 11(2): 93-102, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33996647

RESUMO

BACKGROUND: Non-vitamin K antagonist oral anticoagulants (NOACs) reduce the risk of stroke in patients with non-valvular atrial fibrillation (NVAF) and have better safety profile than vitamin K antagonists (VKAs). However, there is a dearth of quality, real-world, patient data on the use of these drugs to guide healthcare policies in United Arab Emirates (UAE). AIMS AND OBJECTIVES: The aim is to address the knowledge gap in demographic and clinical profiles of NVAF patients on NOACs (apixaban, rivaroxaban, and dabigatran) and warfarin in UAE. MATERIALS AND METHODS: This retrospective cohort analysis utilized the Dubai Real-World Claims Database to extract anonymized longitudinal data on NVAF patients with at least one NOAC or warfarin claim between January 2015 and March 2019. Data examined included comorbidities, healthcare resource utilization (HCRU), treatment adherence, and clinical events. RESULTS: From 11,086 NVAF patients in the database, 940 patients on oral anticoagulant treatment were selected with mean age of 58.6 ± 14.7 years and 73.7% men. At baseline, the mean CHA2DS2-VASc risk score was 2.4, and the mean Deyo-Charlson comorbidity index (CCI) score was 1.6. Most patients (71%) started oral anticoagulation treatment on a standard index dose. High medication possession ratio (MPR) and proportion of days covered (PDC) were observed in 86.8% and 43.1% of the overall cohort. The mean number of HCRU claims and cost during the 180-day follow-up period was 18.5 and 9,747 USD, respectively. Warfarin users accounted for both the highest number of claims and cost, whereas apixaban accounted for the lowest figures. Time to first major bleeding was shorter for warfarin users compared with patients on NOACs. Longer times to first stroke/systemic embolism (SE) were observed for rivaroxaban and warfarin. CONCLUSION: This study provides important comparative insights about comorbidities, adherence, HCRU, and outcome events among NOAC and warfarin users from real-world clinical practice settings.

17.
PLoS One ; 16(9): e0256856, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34469441

RESUMO

BACKGROUND: Pneumonia is a significant cause of morbidity and mortality among adults globally. This retrospective cohort analysis assessed the pneumonia burden and related healthcare resource utilization and costs in the at-risk (low, medium, and high-risk) adult patients in Dubai, United Arab Emirates (UAE). METHODS: The claims data from January 1, 2014 to June 30, 2019 were extracted from the Dubai Real-World Claims Database for patients, aged ≥18 year, having at least 1 pneumonia claim. Data for the inpatient, outpatient and emergency visits were assessed for 12-months, before (pre-index) and after (follow-up) a pneumonia episode. Healthcare costs were calculated based on dollar value of 2020. RESULTS: Total 48,562 records of eligible patients were analyzed (mean age = 39.9 years; low [62.1%], medium [36.2%] and high [1.7%] risk cohorts). Mean all-cause healthcare costs were approximately >45% higher in the follow-up period (1,947 USD/patient) versus pre-index period (1,327 USD/patient). During follow-up period, the mean annual pneumonia incidence rate was 1.3 episodes, with a similar pattern across all cohorts. Overall, mean claims and costs (USD) per patient (all-cause) were highest in the high-risk cohort in the follow-up period (claims: overall, 11.6; high-risk, 22.0; medium-risk, 13.9; low-risk, 9.9; costs: high-risk, 14,184; medium-risk, 2,240; low-risk, 1,388). Similarly, the mean pneumonia-related costs (USD) per patient were highest for the high-risk cohort (overall: 1,305; high-risk, 10,207; medium-risk, 1,283; low-risk, 882), however, the claims were similar across cohorts (claims/patient: overall: 2.0; high-risk, 1.9; medium-risk, 2.2; low-risk, 1.9). Most all-cause and pneumonia-related costs were due to inpatient visits (4,901 and 4,818 USD respectively), while outpatient (1,232 and 166 USD respectively) and emergency visits (347 and 206 USD respectively) contributed significantly lesser. CONCLUSIONS: Pneumonia imposes a significant healthcare burden in the UAE, especially in the high-risk patients with severe comorbidities. These findings would guide clinicians and policy makers to make informed decisions.


Assuntos
Demandas Administrativas em Assistência à Saúde/estatística & dados numéricos , Efeitos Psicossociais da Doença , Custos de Cuidados de Saúde/estatística & dados numéricos , Aceitação pelo Paciente de Cuidados de Saúde/estatística & dados numéricos , Pneumonia/economia , Adolescente , Adulto , Bases de Dados Factuais/estatística & dados numéricos , Feminino , Seguimentos , Humanos , Masculino , Pessoa de Meia-Idade , Pneumonia/epidemiologia , Pneumonia/terapia , Estudos Retrospectivos , Emirados Árabes Unidos/epidemiologia , Adulto Jovem
18.
Saudi J Biol Sci ; 28(9): 5349-5358, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-34466114

RESUMO

A promising Cordia myxa fruit (CMF) extract targets an additional incorporation in functional foods. It retains appropriate health welfares owing to its antioxidant properties with limited incorporation in food matrices due its hydrophobicity. Therefore, CMF extract micro- and nanocapsulation was performed to protect and facilitate consistency of produced hydrophobic foods matrices. Furthermore, to determine its phytochemicals, antioxidant, and cytotoxic effects by applying analytical HPLC, FRAP and SRB assay, respectively. HPLC analysis of the tested extracts revealed the presence of, 25.59 ± 1.78 mg catechin/g, 69.68 ± 4.20 mg quercetin/g, and 112.72 ± 8.38 mg gallic acid/g extract. The CMF extract displayed a potent DPPH radicals' scavenger and FRAP high reduction capability in a dose-dependent manner. The potent pharmacological activities of CMF extract may be ascribed to high concentration of polyphenolics including flavonoids which strongly reported to possess an antitumor and antioxidant activities. To confirm the efficient CMF incorporation in micro- and nanosystems and their thermal stabilities to withstand the high temperatures applied during some food processing. DSC of the apparent melt of non-capsulated CMF and encapsulated forms (MCMF and NCMF) in sodium alginate gel and beads was studied. Results showed that melting point of CMF extract (86.17 °C) indicating its inability whereas the MCMF and NCMF melting points (226.45 and 383.87 °C, respectively) demonstrating the capability of expending alginate - packaging material to shield the vital active compounds of C. myxa fruit to be applied in different targeted delivery products especially that disclosed to high thermal treatments.

19.
Food Sci Nutr ; 9(10): 5854-5868, 2021 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-34646551

RESUMO

Myricetin is a critical nutritive component of diet providing immunological protection and beneficial for maintaining good health. It is found in fruits, vegetables, tea, and wine. The families Myricaceae, Polygonaceae, Primulaceae, Pinaceae, and Anacardiaceae are the richest sources of myricetin. Different researchers explored the therapeutic potential of this valuable constituent such as anticancer, antidiabetic, antiobesity, cardiovascular protection, osteoporosis protection, anti-inflammatory, and hepatoprotective. In addition to these, the compound has been tested for cancer and diabetic mellitus during clinical trials. Health benefits of myricetin are related to its impact on different cell processes, such as apoptosis, glycolysis, cell cycle, energy balance, lipid level, serum protein concentrations, and osteoclastogenesis. This review explored the potential health benefits of myricetin with a specific emphasis on its mechanism of action, considering the most updated and novel findings in the field.

20.
J Food Prot ; 83(8): 1387-1395, 2020 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-32693410

RESUMO

ABSTRACT: Food safety is a current challenge that needs to be addressed globally to overcome burden of foodborne diseases. In this study, food samples collected from Pakistan Institute of Medical Sciences, Islamabad, were analyzed for microbial quality. Parameters to measure the presence or absence of Salmonella, Staphylococcus, coliform, fungi, enteropathogenic Escherichia coli, and total viable counts in foods were studied. Enumeration of aerobic mesophilic bacteria and coliform bacteria was carried out to check the quality of water. The results showed that there was microbial contamination in the foods served at hospital under investigation for this study. Most of the contamination existed because of nonhygienic practices by individuals and serving places. Salmonella, fecal coliforms, and fungal cross-contamination was reported. A hazard analysis and critical control point system was implemented to study what areas are at greater risk and are a reason of contamination in the hospital. The study concluded that high prevalence of the microbial contamination was observed in facilities of the Pakistan Institute of Medical Sciences hospital, requiring strict preventive and precautionary measures to be taken to ensure the safety and health of patients and attendants in the hospital.


Assuntos
Microbiologia de Alimentos , Análise de Perigos e Pontos Críticos de Controle , Contagem de Colônia Microbiana , Contaminação de Alimentos/análise , Hospitais , Humanos , Paquistão , Salmonella
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