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1.
BMC Nutr ; 10(1): 23, 2024 Feb 01.
Article in English | MEDLINE | ID: mdl-38303045

ABSTRACT

BACKGROUND: Malnutrition is a prevalent issue among older adults in long-term care facilities and is associated with adverse health outcomes and increased healthcare costs. Identifying the predictors of malnutrition in this population is crucial for developing effective intervention strategies. This study aimed to explore the factors contributing to malnourishment among older individuals living in long-term care facilities in Qatar. METHODS: This cross-sectional study included 75 older adults from two long-term care facilities (Rumailah Hospital and Enaya Specialized Care Center) in Qatar. Baseline characteristics, including age, sex, length of stay, mortality, weight, body mass index, co-morbidities, and laboratory parameters, were assessed. Data were analyzed using the most recent version of the SPSS software, version 29. Predictors of malnutrition and mortality were identified using logistic regression analysis. RESULTS: Of the 75 older individuals included in the study, 85% (64) were malnourished. The average age of the participants was 74.89 years, with a standard deviation of 10.21. Of all participants, approximately 61% (46) were males, and 39% (29) were females. Most malnourished older adults were classified as either at "moderate (29.69%)" or "severe risk (37.50%)," according to the Geriatric Nutritional Risk Index. Malnourished participants experienced a significant percentage of weight change within 3 months (14.01 ± 7.89); the only statistically significant predictor of malnutrition was the percentage of weight change within 3 months with an odds ratio (OR) of 4.8 (confidence interval [CI] 1.56-14.75) and p-value of 0.006. Statistically significant predictors of mortality were malnutrition (OR 24.84, CI 1.09-564) and age (OR 1.07, CI 1.00-1.14). CONCLUSIONS: A significant predictor of malnutrition in older adults identified in this study was the sudden and recent change in weight, which can be employed to detect individuals at risk early and guide tailored interventions. Malnutrition is a significant predictor of mortality. Employing a multidimensional strategy to tackle malnutrition can improve outcomes for the older individuals.

2.
Int J Biol Macromol ; 255: 128259, 2024 Jan.
Article in English | MEDLINE | ID: mdl-37984572

ABSTRACT

In several types of cancers, the expression of carbonic anhydrase-IX (CA-IX) enzyme is elevated than its normal level which ultimately plays a key role in the tumor growth of epithelial cells in breast and lung cancer by acidifying tumor microenvironment, therefore, inhibition of this target is important in antitumor therapy. We have synthesized bis-benzimidazole derivatives (1-25) by using 3,3'-diaminobenzidine and various aromatic aldehydes and characterized by various spectroscopic methods (UV/Visible, 1HNMR, 13CNMR, and mass spectrometry). Their inhibitory potential for human CA-IX (hCA-IX) was evaluated in-vitro, where several synthesized derivatives showed potent inhibition of hCA-IX (IC50 values in range of 5.23 ± 1.05 to 40.10 ± 1.78 µM) and compounds 3-5, 7-8, 13-16, 21 and 23 showed superior activity than the standard drug "acetazolamide" (IC50 = 18.24 ± 1.43 µM). Furthermore, all these compounds showed no toxicity on human fibroblast cell lines (BJ cell lines). Moreover, molecular docking was carried out to predict their binding modes in the active site of CA-IX and revealed a significant role of imidazole ring of synthesized entities in their effective binding with the specific residues of CA-IX. The obtained results paved the way for further in vivo and other pharmacological studies for the optimization of these molecules as possible anti-cancer agents.


Subject(s)
Antineoplastic Agents , Carbonic Anhydrases , Neoplasms , Humans , Carbonic Anhydrases/chemistry , Molecular Docking Simulation , Structure-Activity Relationship , Antineoplastic Agents/chemistry , Neoplasms/drug therapy , Carbonic Anhydrase Inhibitors/chemistry , Molecular Structure , Tumor Microenvironment
3.
Cancer Lett ; 576: 216401, 2023 Nov 01.
Article in English | MEDLINE | ID: mdl-37774827

ABSTRACT

This scientometric study aimed to provide a first comprehensive overview of the global research landscape of Metronomic Chemotherapy (MC) from 2000 to 2022 using a data-driven approach to identify key trends, collaborations, and potential opportunities. This study highlights the increasing prevalence of MC, with annual outputs increasing substantially over the same timeframe. The United States contributed the most to MC research, followed by Italy and China, while there was a lack of collaborative research efforts between countries and organizations. Through keyword co-occurrence analysis, we identified emerging interdisciplinary research areas, such as "nanoparticles," "immunotherapy," and "antitumor immunity." Our citation analysis identified the most influential authors, institutions, and journals, providing a comprehensive overview of the structure of knowledge and dissemination of MC research. Although the number of publications has decreased since 2019, the analysis indicates that this field has received substantial scholarly attention. These discoveries are extremely important for researchers, funding organizations, and policymakers because they highlight the need for more collaboration, interdisciplinary approaches, and resource allocation in underrepresented fields. This study concludes with recommendations for guiding future research and collaboration, resulting in a larger impact and fostering substantial advancements in MC research.

4.
Int J Nanomedicine ; 18: 3377-3405, 2023.
Article in English | MEDLINE | ID: mdl-37366489

ABSTRACT

Biomaterials and biomedical devices induced life-threatening bacterial infections and other biological adverse effects such as thrombosis and fibrosis have posed a significant threat to global healthcare. Bacterial infections and adverse biological effects are often caused by the formation of microbial biofilms and the adherence of various biomacromolecules, such as platelets, proteins, fibroblasts, and immune cells, to the surfaces of biomaterials and biomedical devices. Due to the programmed interconnected networking of bacteria in microbial biofilms, they are challenging to treat and can withstand several doses of antibiotics. Additionally, antibiotics can kill bacteria but do not prevent the adsorption of biomacromolecules from physiological fluids or implanting sites, which generates a conditioning layer that promotes bacteria's reattachment, development, and eventual biofilm formation. In these viewpoints, we highlighted the magnitude of biomaterials and biomedical device-induced infections, the role of biofilm formation, and biomacromolecule adhesion in human pathogenesis. We then discussed the solutions practiced in healthcare systems for curing biomaterials and biomedical device-induced infections and their limitations. Moreover, this review comprehensively elaborated on the recent advances in designing and fabricating biomaterials and biomedical devices with these three properties: antibacterial (bacterial killing), antibiofilm (biofilm inhibition/prevention), and antibiofouling (biofouling inhibition/prevention) against microbial species and against the adhesion of other biomacromolecules. Besides we also recommended potential directions for further investigations.


Subject(s)
Anti-Infective Agents , Biofouling , Humans , Biocompatible Materials/pharmacology , Anti-Infective Agents/pharmacology , Biofilms , Anti-Bacterial Agents/pharmacology
5.
Front Immunol ; 14: 1128164, 2023.
Article in English | MEDLINE | ID: mdl-36817449

ABSTRACT

Coronavirus disease-19 (COVID-19), caused by SARS-CoV-2, has contributed to a significant increase in mortality. Proinflammatory cytokine-mediated cytokine release syndrome (CRS) contributes significantly to COVID-19. Meliae cortex has been reported for its several ethnomedical applications in the Chinese Pharmacopoeia. In combination with other traditional Chinese medicines (TCM), the Meliae cortex suppresses coronavirus. Due to its phytoconstituents and anti-inflammatory capabilities, we postulated that the Meliae cortex could be a potential therapeutic for treating COVID-19. The active phytonutrients, molecular targets, and pathways of the Meliae cortex have not been explored yet for COVID-19 therapy. We performed network pharmacology analysis to determine the active phytoconstituents, molecular targets, and pathways of the Meliae cortex for COVID-19 treatment. 15 active phytonutrients of the Meliae cortex and 451 their potential gene targets were retrieved from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) and SwissTargetPrediction website tool, respectively. 1745 COVID-19-related gene targets were recovered from the GeneCards. 104 intersection gene targets were determined by performing VENNY analysis. Using the DAVID tool, gene ontology (GO) and KEGG pathway enrichment analysis were performed on the intersection gene targets. Using the Cytoscape software, the PPI and MCODE analyses were carried out on the intersection gene targets, which resulted in 41 potential anti-COVID-19 core targets. Molecular docking was performed with AutoDock Vina. The 10 anti-COVID-19 core targets (AKT1, TNF, HSP90AA1, IL-6, mTOR, EGFR, CASP3, HIF1A, MAPK3, and MAPK1), three molecular pathways (the PI3K-Akt signaling pathway, the HIF-1 signaling pathway, and the pathways in cancer) and three active phytonutrients (4,8-dimethoxy-1-vinyl-beta-carboline, Trichilinin D, and Nimbolin B) were identified as molecular targets, molecular pathways, and key active phytonutrients of the Meliae cortex, respectively that significantly contribute to alleviating COVID-19. Molecular docking analysis further corroborated that three Meliae cortex's key active phytonutrients may ameliorate COVID-19 disease by modulating identified targets. Hence, this research offers a solid theoretic foundation for the future development of anti-COVID-19 therapeutics based on the phytonutrients of the Meliae cortex.


Subject(s)
COVID-19 , Humans , COVID-19 Drug Treatment , Molecular Docking Simulation , Phosphatidylinositol 3-Kinases , SARS-CoV-2 , Cytokine Release Syndrome
6.
Behav Sci (Basel) ; 13(1)2023 Jan 03.
Article in English | MEDLINE | ID: mdl-36661613

ABSTRACT

The major objective of the current study was to find out the impact of motivational factors on the job outcomes of librarians working in HEC-recognized university libraries in Pakistan. A survey research method followed by predictive correlational design was applied to test the constructed hypotheses in this study. The population of the study was library professionals working in the university libraries of Lahore, Pakistan. There were 13 public sector universities and 21 private sector universities. The census sampling technique was used to collect data from the respondents of the 34 universities. Data were collected with the help of a questionnaire. Out of 225 respondents, 189 completed questionnaires were received. Hence, the response rate was 84%. The gathered data were analyzed through SPSS software. Descriptive and inferential statistical tests were applied to find out the impact of motivational and behavioral factors on the job outcomes of information professionals. The findings of the study showed that different types of motivation influenced information professionals to carry out innovative and value-added services in the workplace. Rewards, a sense of honor, an amicable work environment, and autonomy were the key categories of motivation that encouraged information professionals to undertake efficient job performance. Recommendations provided through a framework based on the findings of the study will prove to be a benchmark for policymakers, human resource managers, and heads of institutions in order to formulate such techniques that might motivate information professionals for the implementation of user-centric services.

7.
BMC Complement Med Ther ; 22(1): 275, 2022 Oct 19.
Article in English | MEDLINE | ID: mdl-36261841

ABSTRACT

BACKGROUND: Atopic dermatitis (AD) is a common inflammatory skin disease that compromises the skin's barrier function and capacity to retain moisture. Cnidii Fructus (CF), the dried fruits of Cnidium monnieri, has long been used to treat atopic dermatitis (AD) in China. However, the anti-AD compounds and mechanisms of CF are not fully understood. In this study, we evaluated the active compounds and molecular targets of CF in treating AD. METHODS: The Traditional Chinese Medicine Systems Pharmacology database was used to acquire information regarding the compounds that occur in the herb. Targets of these compounds were predicted using the SwissTargetPrediction website tool. AD-related genes were collected from the GeneCards database. Gene ontology (GO) enrichment analysis and KEGG pathway analysis of proteins that are targeted by active compounds of CF and encoded by AD-related genes were performed using Database for Annotation, Visualization, and Integrated Discovery Bioinformatics Resources. A "compound-target" network was constructed and analyzed using Cytoscape Software. Molecular docking was performed using BIOVIA Discovery Studio Visualizer and AutoDock Vina. RESULTS: We identified 19 active compounds in CF, 532 potential targets for these compounds, and 1540 genes related to AD. Results of GO enrichment indicated that CF affects biological processes and molecular functions, such as inflammatory response and steroid hormone receptor activity, which may be associated with its anti-AD effects. KEGG pathway analyses showed that PI3K-Akt signaling, calcium signaling, Rap1 signaling, and cAMP signaling pathways are the main pathways involved in the anti-AD effects of CF. Molecular docking analyses revealed that the key active compounds in CF, such as (E)-2,3-bis(2-keto-7-methoxy-chromen-8-yl)acrolein, ar-curcumene, and diosmetin, can bind the main therapeutic targets AKT1, SRC, MAPK3, EGFR, CASP3, and PTGS2. CONCLUSIONS: Results of the present study establish a foundation for further investigation of the anti-AD compounds and mechanisms of CF and provide a basis for developing modern anti-AD agents based on compounds that occur in CF.


Subject(s)
Dermatitis, Atopic , Drugs, Chinese Herbal , Molecular Docking Simulation , Caspase 3 , Drugs, Chinese Herbal/pharmacology , Drugs, Chinese Herbal/therapeutic use , Fruit , Dermatitis, Atopic/drug therapy , Cyclooxygenase 2 , Network Pharmacology , Acrolein , Phosphatidylinositol 3-Kinases , Proto-Oncogene Proteins c-akt , Steroids , Hormones , ErbB Receptors
8.
Front Pharmacol ; 13: 968148, 2022.
Article in English | MEDLINE | ID: mdl-35959427

ABSTRACT

Nitazoxanide has been investigated for colorectal cancer and breast cancer. However, its molecular targets and pathways have not yet been explored for hepatocellular carcinoma (HCC) treatment. Utilizing a network pharmacology approach, nitazoxanide's potential targets and molecular pathways for HCC treatment were investigated. HCC targets were extracted from the GeneCards database. Potential targets of nitazoxanide were predicted using Swiss Target Prediction and Super Pred. Intersecting targets were analyzed with VENNY online tool. Using Cytoscape, a protein-protein interaction (PPI), cluster, and core targets-pathways networks were constructed. Using the Database for Annotation, Visualization and Integrated Discovery (DAVID), gene ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted. The nitazoxanide was molecularly docked with anti-HCC core targets by employing Auto Dock Vina. A total of 168 potential targets of nitazoxanide, 13,415 HCC-related targets, and 153 intersecting targets were identified. The top eight anti-HCC core targets were identified: SRC, EGFR, CASP3, MMP9, mTOR, HIF1A, ERBB2, and PPARG. GO enrichment analysis showed that nitazoxanide might have anti-HCC effects by affecting gene targets involved in multiple biological processes (BP) (protein phosphorylation, transmembrane receptor protein tyrosine kinase (RTKs) signaling pathway, positive regulation of MAP kinase activity, etc.). KEGG pathways and core targets-pathways network analysis indicated that pathways in cancer and proteoglycans in cancer are two key pathways that significantly contribute to the anti-HCC effects of nitazoxanide. Results of molecular docking demonstrated the potential for active interaction between the top eight anti-HCC core targets and nitazoxanide. Our research offers a theoretical basis for the notion that nitazoxanide may have distinct therapeutic effects in HCC, and the identified pharmacological targets and pathways might function as biomarkers for HCC therapy.

9.
Front Microbiol ; 13: 972576, 2022.
Article in English | MEDLINE | ID: mdl-35992697

ABSTRACT

COVID-19 disease is caused by SARS-CoV-2. Hyper-inflammation mediated by proinflammatory cytokines is humans' primary etiology of SARS-CoV-2 infection. Kochiae Fructus is widely used in China as traditional Chinese medicine (TCM) to treat inflammatory diseases. Due to its anti-inflammatory properties, we hypothesized that Kochiae Fructus would be a promising therapeutic agent for COVID-19. The active phytomolecules, targets, and molecular pathways of Kochiae Fructus in treating COVID-19 have not been explored yet. Network pharmacology analysis was performed to determine the active phytomolecules, molecular targets, and pathways of Kochiae Fructus. The phytomolecules in Kochiae Fructus were retrieved from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, and their potential targets were predicted with the SwissTargetPrediction webserver. COVID-19-related targets were recovered from the GeneCards database. Intersecting targets were determined with the VENNY tool. The Protein-protein interaction (PPI) and Molecular Complex Detection (MCODE) network analyses were constructed using the Cytoscape software. Using the DAVID tool, gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed on the intersecting targets. AutoDock Vina (version 1.2.0.) was used for molecular docking analysis. Six active phytomolecules and 165 their potential targets, 1,745 COVID-19-related targets, and 34 intersecting targets were identified. Network analysis determined 13 anti-COVID-19 core targets and three key active phytomolecules (Oleanolic acid, 9E,12Z-octadecadienoic acid, and 11,14-eicosadienoic acid). Three key pathways (pathways in cancer, the TNF signaling pathway, and lipid and atherosclerosis) and the top six anti-COVID-19 core targets (IL-6, PPARG, MAPK3, PTGS2, ICAM1, and MAPK1) were determined to be involved in the treatment of COVID-19 with active phytomolecules of Kochiae Fructus. Molecular docking analysis revealed that three key active phytomolecules of Kochiae Fructus had a regulatory effect on the identified anti-COVID-19 core targets. Hence, these findings offer a foundation for developing anti-COVID-19 drugs based on phytomolecules of Kochiae Fructus.

10.
Int J Mol Sci ; 23(10)2022 May 12.
Article in English | MEDLINE | ID: mdl-35628212

ABSTRACT

Hepatocellular carcinoma (HCC) is a malignancy with a high mortality rate globally. For thousands of years, Cnidium monnieri has been used to treat human ailments and is regarded as a veritable treasure trove for drug discovery. This study has investigated the key active phytochemicals and molecular mechanisms of Cnidium monnieri implicated in curing HCC. We utilized the TCMSP database to collect data on the phytochemicals of Cnidium monnieri. The SwissTargetPrediction website tool was used to predict the targets of phytochemicals of Cnidium monnieri. HCC-related genes were retrieved from OncoDB.HCC and Liverome, two liver-cancer-related databases. Using the DAVID bioinformatic website tool, Gene Ontology (GO) and KEGG enrichment analysis were performed on the intersecting targets of HCC-related genes and active phytochemicals in Cnidium monnieri. A network of active phytochemicals and anti-HCC targets was constructed and analyzed using Cytoscape software. Molecular docking of key active phytochemicals was performed with anti-HCC targets using AutoDock Vina (version 1.2.0.). We identified 19 active phytochemicals in Cnidium monnieri, 532 potential targets of these phytochemicals, and 566 HCC-related genes. Results of GO enrichment indicated that Cnidium monnieri might be implicated in affecting gene targets involved in multiple biological processes, such as protein phosphorylation, negative regulation of the apoptotic process, which could be attributed to its anti-HCC effects. KEGG pathway analyses indicated that the PI3K-AKT signaling pathway, pathways in cancer, proteoglycans in cancer, the TNF signaling pathway, VEGF signaling pathway, ErbB signaling pathway, and EGFR tyrosine kinase inhibitor resistance are the main pathways implicated in the anti-HCC effects of Cnidium monnieri. Molecular docking analyses showed that key active phytochemicals of Cnidium monnieri, such as ar-curcumene, diosmetin, and (E)-2,3-bis(2-keto-7-methoxy-chromen-8-yl)acrolein, can bind to core therapeutic targets EGFR, CASP3, ESR1, MAPK3, CCND1, and ERBB2. The results of the present study offer clues for further investigation of the anti-HCC phytochemicals and mechanisms of Cnidium monnieri and provide a basis for developing modern anti-HCC drugs based on phytochemicals in Cnidium monnieri.


Subject(s)
Carcinoma, Hepatocellular , Liver Neoplasms , Carcinoma, Hepatocellular/drug therapy , Carcinoma, Hepatocellular/genetics , Carcinoma, Hepatocellular/metabolism , Cnidium/chemistry , ErbB Receptors , Humans , Liver Neoplasms/drug therapy , Liver Neoplasms/genetics , Liver Neoplasms/metabolism , Molecular Docking Simulation , Phosphatidylinositol 3-Kinases , Phytochemicals/pharmacology , Phytochemicals/therapeutic use
11.
Front Microbiol ; 12: 761084, 2021.
Article in English | MEDLINE | ID: mdl-34790185

ABSTRACT

In this study, we propose to synthesize NPs using plant extract containing active biomedical components, with the goal of obtaining NPs that inherit the biomedical activities of the plant. Herein, we report the synthesis of manganese dioxide nanoparticles (VBLE-MnO2 NPs) using the leaves extract of Viola betonicifolia, in which the biological active plant's secondary metabolites function as both reducing and capping agents. The synthesized NPs were successfully characterized with different spectroscopic techniques. The antibacterial, antifungal, and biofilm inhibition properties of the synthesized VBLE-MnO2 NPs were further explored against a variety of bacteria (Gram-positive and Gram-negative) and mycological species. Additionally, their antioxidant ability against linoleic acid peroxidation inhibition, cytobiocompatibility with hMSC cells, and cytotoxicity against MCF-7 cells were investigated compared to leaves extract and chemically synthesized manganese dioxide NPs (CH-MnO2 NPs). The results were demonstrated that the synthesized VBLE-MnO2 NPs presented excellent antibacterial, antifungal, and biofilm inhibition performance against all the tested microbial species compared to plant leaves extract and CH-MnO2 NPs. Moreover, they also exhibited significant antioxidant potential, which was comparable to the external standard (ascorbic acid); however, it was higher than plant leaves extract and CH-MnO2 NPs. Furthermore, the synthesized CH-MnO2 NPs displayed good cytobiocompatibility with hMSC cells compared to CH-MnO2 NPs. The enhanced antioxidant, antibacterial, antifungal, and biofilm inhibition efficacy as compared to CH-MnO2 NPs might be attributed to the synergistic effect of the VBLE-MnO2 NPs' physical properties and the adsorbed biologically active phytomolecules from the leaves extract of V. betonicifolia on their surface. Thus, our study establishes a novel ecologically acceptable route for nanomaterials' fabrication with increased and/or extra medicinal functions derived from their herbal origins.

12.
Int J Mol Sci ; 22(22)2021 Nov 22.
Article in English | MEDLINE | ID: mdl-34830442

ABSTRACT

Herein, we report the green synthesis of silver nanoparticles (OE-Ag NPs) by ecofriendly green processes using biological molecules of Olea europaea leaf extract. Green synthesized OE-Ag NPs were successfully characterized using different spectroscopic techniques. Antibacterial activity of OE-Ag NPs was assessed against four different bacteriological strains using the dilution serial method. The cytotoxic potential was determined against MCF-7 carcinoma cells using MTT assay in terms of cell viability percentage. Antioxidant properties were evaluated in terms of 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging. Biocompatibility was further examined by incubating the synthesized NPs with hMSC cells for 24 h. The results were demonstrated that synthesized OE-Ag NPs presented excellent log10 reduction in the growth of all the tested bacterial strains, which as statistically equivalent (p > 0.05) to the standard antibiotic drug. Moreover, they also demonstrated excellent cytotoxic efficacy against the MCF-7 carcinoma cells compared to plant lead extract and Com-Ag NPs. Green synthesized OE-Ag NPs appeared more biocompatible to hMSC and 293T cells compared to Com-Ag NPs. Excellent biological results of the OE-Ag NPs might be attributed to the synergetic effect of NPs' properties and the adsorbed secondary metabolites of plant leaf extract. Hence, this study suggests that synthesized OE-Ag NPs can be a potential contender for their various biological and nutraceutical applications. Moreover, this study will open a new avenue to produce biocompatible nanoparticles with additional biological functionalities from the plants.


Subject(s)
Green Chemistry Technology , Metal Nanoparticles/chemistry , Plant Extracts/pharmacology , Anti-Bacterial Agents/chemistry , Anti-Bacterial Agents/pharmacology , Antineoplastic Agents/chemistry , Antineoplastic Agents/pharmacology , Antioxidants/chemistry , Antioxidants/pharmacology , Bacteria/drug effects , Cell Line, Tumor , Cell Proliferation/drug effects , Cell Survival/drug effects , Humans , Microbial Sensitivity Tests , Olea/chemistry , Plant Extracts/chemistry , Silver/chemistry
13.
Molecules ; 26(7)2021 Apr 02.
Article in English | MEDLINE | ID: mdl-33918531

ABSTRACT

Admittedly, the disastrous emergence of drug resistance in prokaryotic and eukaryotic human pathogens has created an urgent need to develop novel chemotherapeutic agents. Onosma chitralicum is a source of traditional medicine with cooling, laxative, and anthelmintic effects. The objective of the current research was to analyze the biological potential of Onosma chitralicum, and to isolate and characterize the chemical constituents of the plant. The crude extracts of the plant prepared with different solvents, such as aqueous, hexane, chloroform, ethyl acetate, and butanol, were subjected to antimicrobial activities. Results corroborate that crude (methanol), EtoAc, and n-C6H14 fractions were more active against bacterial strains. Among these fractions, the EtoAc fraction was found more potent. The EtoAc fraction was the most active against the selected microbes, which was subjected to successive column chromatography, and the resultant compounds 1 to 7 were isolated. Different techniques, such as UV, IR, and NMR, were used to characterize the structures of the isolated compounds 1-7. All the isolated pure compounds (1-7) were tested for their antimicrobial potential. Compounds 1 (4',8-dimethoxy-7-hydroxyisoflavone), 6 (5,3',3-trihydroxy-7,4'-dimethoxyflavanone), and 7 (5',7,8-trihydroxy-6,3',4'-trimethoxyflavanone) were found to be more active against Staphylococcus aureus and Salmonella Typhi. Compound 1 inhibited S. typhi and S. aureus to 10 ± 0.21 mm and 10 ± 0.45 mm, whereas compound 6 showed inhibition to 10 ± 0.77 mm and 9 ± 0.20 mm, respectively. Compound 7 inhibited S. aureus to 6 ± 0.36 mm. Compounds 6 and 7 showed significant antibacterial potential, and the structure-activity relationship also justifies their binding to the bacterial enzymes, i.e., beta-hydroxyacyl dehydratase (HadAB complex) and tyrosyl-tRNA synthetase. Both bacterial enzymes are potential drug targets. Further, the isolated compounds were found to be active against the tested fungal strains. Whereas docking identified compound 7, the best binder to the lanosterol 14α-demethylase (an essential fungal cell membrane synthesizing enzyme), reported as an antifungal fluconazole binding enzyme. Based on our isolation-linked preliminary structure-activity relationship (SAR) data, we conclude that O. chitralicum can be a good source of natural compounds for drug development against some potential enzyme targets.


Subject(s)
Bacterial Proteins/antagonists & inhibitors , Boraginaceae/chemistry , Computer Simulation , Drug Resistance, Bacterial , Flavonoids/chemistry , Flavonoids/isolation & purification , Salmonella typhi/drug effects , Staphylococcus aureus/drug effects , Antifungal Agents/chemistry , Antifungal Agents/pharmacology , Bacterial Proteins/chemistry , Bacterial Proteins/metabolism , Binding Sites , Drug Evaluation, Preclinical , Drug Resistance, Bacterial/drug effects , Flavonoids/pharmacology , Microbial Sensitivity Tests , Molecular Docking Simulation , Salmonella typhi/metabolism , Staphylococcus aureus/metabolism , Structure-Activity Relationship
14.
Acta Biomater ; 128: 262-276, 2021 07 01.
Article in English | MEDLINE | ID: mdl-33866034

ABSTRACT

Contact lenses are widely used for visual corrections. However, while wearing contact lenses, eyes typically face discomforts (itching, irritation, burning, etc.) due to foreign object sensation, lack of oxygen permeability, and tear film disruption as opposed to a lack of wetting agents. Eyes are also prone to ocular infections such as bacterial keratitis (BK) and fungal keratitis (FK) and inflammatory events such as contact lens-related acute red eye (CLARE), contact lens peripheral ulcer (CLPU), and infiltrative keratitis (IK) caused by pathogenic bacterial and fungal strains that contaminate contact lenses. Therefore, a good design of contact lenses should adequately address the need for wetting, the supply of antioxidants, and antifouling and antimicrobial efficacy. Here, we developed multifunctional gallic acid (GA), phytomolecules-coated zinc oxide nanoparticles (ZN), and phytomolecules-coated zinc oxide nanoparticles + gallic acid + tobramycin (ZGT)-coated contact lenses using a sonochemical technique. The coated contact lenses exhibited significant antibacterial (>log10 5.60), antifungal, and antibiofilm performance against BK-causing multidrug resistant bacteria (Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia. coli) and FK-related pathogenic fungal strains (Candida albicans, Aspergillus fumigatus, and Fusarium solani). The gallic acid, tobramycin, and phytomolecules-coated zinc oxide nanoparticles have different functionalities (-OH, -NH2, -COOH, -COH, etc.) that enhanced wettability of the coated contact lenses as compared to that of uncoated ones and further enabled them to exhibit remarkable antifouling property by prohibiting adhesion of platelets and proteins. The coated contact lenses also showed significant antioxidant activity by scavenging DPPH and good cytocompatibility to human corneal epithelial cells and keratinocytes cell lines. STATEMENT OF SIGNIFICANCE: • Multifunctional coated lenses were developed with an efficient sonochemical approach. • Lens surface was modified with nanocoatings of ZnO nanoparticles, gallic acid, and tobramycin. • This synergistic combination endowed the lenses with remarkable antimicrobial activity. • Coated lenses also showed noteworthy antifouling and biofilm inhibition activities. • Coated lenses showed good antioxidant, biocompatibility, and wettability characteristics.


Subject(s)
Contact Lenses , Keratitis , Nanoparticles , Zinc Oxide , Fusarium , Gallic Acid , Humans , Keratitis/drug therapy , Pseudomonas aeruginosa , Tobramycin/pharmacology , Zinc Oxide/pharmacology
15.
Int J Nanomedicine ; 16: 1757-1773, 2021.
Article in English | MEDLINE | ID: mdl-33688190

ABSTRACT

BACKGROUND: NiO nanoparticles have attracted much attention due to their unique properties. They have been synthesized using chemical and physical techniques that often need toxic chemicals. These toxic chemicals cannot easily be removed from the nanoparticle's surface, make them less biocompatible, and limit their biological applications. Instead, plants based green synthesis of nanoparticles uses phytomolecules as reducing and capping agents. These phytomolecules are biologically active with no or less toxic effects. MATERIALS AND METHODS: Phytomolecules-coated NiO nanoparticles were synthesized employing a green route using Abutilon indicum leaf extract. For comparative study, we also have synthesized NiO nanoparticles using the co-precipitation method. Synthesized nanoparticles were successfully characterized using different spectroscopic techniques. The synthesized nanoparticles were evaluated for antibacterial activity with agar well diffusion assay against different bacteria compared to standard drug and plant extract. They are also examined for anticancer potential using MTT assay against HeLa cancer cells, and further, their antioxidant potential was determined using DPPH assay. Biocompatibility of the synthesized nanoparticles was assessed against fibroblast cells. RESULTS: Phytomolecules-coated NiO nanoparticles were demonstrated superior antibacterial and anticancer performance against bacteria (E. coli, B. bronchiseptica, B. subtilis, and S. aureus) by presenting highest zone of inhibitions (18 ± 0.58 mm, 21 ± 0.45 mm, 22 ± 0.32 mm, and 23 ± 0.77 mm) and HeLa cancer cells by exhibiting the least cell viability percentage (51.74 ± 0.35%) compared to plant extract and chemically synthesized NiO nanoparticles but were comparable to standard antibiotic and anticancer drugs, respectively. Phytomolecules-coated NiO nanoparticles were also demonstrated excellent antioxidant activity (79.87 ± 0.43% DPPH inhibition) and biocompatibility (> 90% cell viability) with fibroblast cells. CONCLUSION: Nanoparticle synthesis using the Abutilon indicum leaf extract is an efficient and economical method, produces biocompatible and more biologically active nanoparticles, which can be an excellent candidate for therapeutic applications.


Subject(s)
Anti-Infective Agents/pharmacology , Antineoplastic Agents/pharmacology , Antioxidants/pharmacology , Malvaceae/chemistry , Metal Nanoparticles/chemistry , Phytochemicals/chemistry , Plant Extracts/chemistry , Plant Leaves/chemistry , Bacteria/drug effects , Biphenyl Compounds/chemistry , Fibroblasts/drug effects , Green Chemistry Technology , HeLa Cells , Humans , Lipid Peroxidation/drug effects , Male , Metal Nanoparticles/ultrastructure , Microbial Sensitivity Tests , Picrates/chemistry , Spectrometry, X-Ray Emission , Spectrophotometry, Ultraviolet , Spectroscopy, Fourier Transform Infrared , Static Electricity , X-Ray Diffraction
16.
J Environ Manage ; 287: 112295, 2021 Jun 01.
Article in English | MEDLINE | ID: mdl-33706096

ABSTRACT

There is an urgent need to meet the demand of water and nutrients by their reuse and recycling to gratify sustainable food production system and resource conservation. Chlorella minutissima was found to be very effective in the removal of electrical conductivity (EC), total dissolved solids, phosphorous (P), potassium (K), ammonium, nitrate, biological oxygen demand (BOD5) and chemical oxygen demand (COD) of sewage wastewater. We tested the effects of phycoremediated algal biomass addition to soil in field plots of baby corn and spinach, on plant growth, yield and soil chemical properties. The application of 100% nitrogen (N) fertilizer by algal biomass lead to higher economic yield of spinach and baby corn than recommended dose of mineral fertilizers. The available N and P content in experimental plots applied with algae biomass as biofertilizers were significantly higher than other treatments. The soil enzymes, such as urease, nitrate reductase, and dehydrogenase were analysed during the cropping season of baby corn and spinach. The soil supplied with 100% N by algae biomass (C. minutissima) significantly (P < 0.05) increased the dehydrogenase activity in spinach grown soil. While the nitrate reductase activity in soil supplied with algal manure was maximum (0.13 mg NO2-N produced g-1 soil 24 h-1) and significantly higher than other treatments in baby corn grown soil. This study revealed that phycoremediation coupled with biofertilizers production from algae biomass is a recycling and resource conservation exercise to reduce eutrophication, recycling of wastewater, recycling of plant nutrients and improvement of the soil quality in circular economy fertilization.


Subject(s)
Chlorella , Biomass , Crop Production , Fertilization , Fertilizers/analysis , Nitrogen , Soil
17.
Int J Mol Sci ; 22(2)2021 Jan 06.
Article in English | MEDLINE | ID: mdl-33419098

ABSTRACT

This study deals with the green synthesis of chromium oxide (Cr2O3) nanoparticles using a leaf extract of Abutilon indicum (L.) Sweet as a reducing and capping agent. Different characterization techniques were used to characterize the synthesized nanoparticles such as X-ray diffraction (XRD), Scanning electron microscope (SEM), Transmission electron microscope (TEM), Energy-dispersive X-ray (EDX), Fourier transform infrared (FTIR), X-ray photoelectron spectroscopy (XPS), and ultraviolet-visible (UV-VIS) spectroscopy. The X-ray diffraction technique confirmed the purity and crystallinity of the Cr2O3 nanoparticles. The average size of the nanoparticles ranged from 17 to 42 nm. The antibacterial activity of the green synthesized nanoparticles was evaluated against four different bacterial strains, E. coli, S. aureus, B. bronchiseptica, and B. subtilis using agar well diffusion and a live/dead staining assay. The anticancer activities were determined against Michigan Cancer Foundation-7 (MCF-7) cancer cells using MTT and a live/dead staining assay. Antioxidant activity was investigated in the linoleic acid system. Moreover, the cytobiocompatibility was analyzed against the Vero cell lines using MTT and a live/dead staining assay. The results demonstrated that the green synthesized Cr2O3 nanoparticles exhibited superior antibacterial activity in terms of zones of inhibition (ZOIs) against Gram-positive and Gram-negative bacteria compared to plant extracts and chemically synthesized Cr2O3 nanoparticles (commercial), but comparable to the standard drug (Leflox). The green synthesized Cr2O3 nanoparticles exhibited significant anticancer and antioxidant activities against MCF-7 cancerous cells and the linoleic acid system, respectively, compared to chemically synthesized Cr2O3 nanoparticles. Moreover, cytobiocompatibility analysis displayed that they presented excellent biocompatibility with Vero cell lines than that of chemically synthesized Cr2O3 nanoparticles. These results suggest that the green synthesized Cr2O3 nanoparticles' enhanced biological activities might be attributed to a synergetic effect. Hence, green synthesized Cr2O3 nanoparticles could prove to be promising candidates for future biomedical applications.


Subject(s)
Anti-Bacterial Agents/chemistry , Antineoplastic Agents/chemistry , Antioxidants/chemistry , Biocompatible Materials/chemistry , Chromium Compounds/chemistry , Metal Nanoparticles/chemistry , Animals , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/pharmacology , Antineoplastic Agents/chemical synthesis , Antineoplastic Agents/pharmacology , Antioxidants/chemical synthesis , Antioxidants/pharmacology , Bacteria/classification , Bacteria/drug effects , Biocompatible Materials/chemical synthesis , Biocompatible Materials/pharmacology , Cell Survival/drug effects , Chlorocebus aethiops , Green Chemistry Technology/methods , Humans , MCF-7 Cells , Metal Nanoparticles/ultrastructure , Microbial Sensitivity Tests/methods , Microscopy, Electron , Oxidation-Reduction/drug effects , Spectroscopy, Fourier Transform Infrared , Vero Cells , X-Ray Diffraction
18.
Sci Rep ; 11(1): 2488, 2021 01 28.
Article in English | MEDLINE | ID: mdl-33510200

ABSTRACT

Nitrous-oxide emission and nitrate addition from agriculture to earth's environment are two main agriculture related anthropogenic causes of environmental degradation that needs greater attention. For addressing the aforesaid issue, new techniques/practices need to be developed and implemented. The present investigation, which was focused on this issue, resulted in developing a new mode of nitrogen (N) placement, i.e. 'mid rib placement upper to corms in two splits (MRPU-2S)', that could reduce nitrous oxide N emission by around 70.11% and, nitrate N leaching and runoff by around 68.26 and 67.09%, respectively, over conventional method, in saffron growing soils of northwest Himalayas. Besides plummeting environmental degradation, MRPU-2S further resulted in enhancing saffron yield by 33.33% over conventional method. The findings of the present investigation were used to develop new empirical models for predicting saffron yield, nitrate N leaching and nitrous-oxide N emission. The threshold limits of nitrate N leaching and nitrous oxide N emission have also been reported exclusively in the present study.

19.
Hum Vaccin Immunother ; 16(12): 3001-3010, 2020 12 01.
Article in English | MEDLINE | ID: mdl-32881628

ABSTRACT

Coronaviruses are single-stranded RNA viruses that cause severe respiratory, enteric, and systemic infections in a vast range of hosts, including man, fish, mammals, and avian. Scientific interest has heightened on coronaviruses after the emergence of the 2019 novel Coronavirus (SARS-CoV-2). This review provides current perspectives on morphology, genetic diversity, transmission characteristics, replication cycle, diagnostic approaches, epidemiological assessment, and prevention strategies against the SARS-CoV-2. Moreover, different potential biotherapeutics such as small drug molecules, different vaccines, and immunotherapies to control severe acute respiratory infections caused by 2019 novel coronavirus (SARS-CoV-2) are repurposed and discussed with different mechanistic approaches. The current growth trends of the SARS-CoV-2/COVID-19 outbreak globally and preventive measures are briefly discussed. Furthermore, the lessons learned from the COVID-19 outbreak, so far, concluding remarks and future directions for controlling for COVID-19, are also recommended for a safer tomorrow.


Subject(s)
Antiviral Agents/immunology , COVID-19/immunology , COVID-19/prevention & control , Immunotherapy/methods , SARS-CoV-2/immunology , Animals , Antiviral Agents/administration & dosage , COVID-19/genetics , Coronavirus/drug effects , Coronavirus/genetics , Coronavirus/immunology , Disease Outbreaks/prevention & control , Humans , Immunity, Herd/drug effects , Immunity, Herd/immunology , Immunotherapy/trends , Quarantine/methods , Quarantine/trends , Respiratory Tract Infections , SARS-CoV-2/drug effects , SARS-CoV-2/genetics
20.
Acta Biomater ; 113: 101-118, 2020 09 01.
Article in English | MEDLINE | ID: mdl-32622052

ABSTRACT

Although contact lenses are widely used for vision correction, they are also the primary cause of a number of ocular diseases such as microbial keratitis (MK), etc. and inflammatory events such as infiltrative keratitis (IK), contact lens acute red eye (CLARE), contact lens-induced peripheral ulcer (CLPU), etc. These diseases and infiltrative events often result from microbial contamination of lens care solutions and lens cases that can be exacerbated by unsanitary lens care and extended lens wear. The treatment of microbial biofilms (MBs) on lens cases and contact lenses are complicated and challenging due to their resistance to conventional antimicrobial lens care solutions. More importantly, MK caused by MBs can lead to acute visual damage or even vision impairment. Therefore, the development of lens cases, lens care solutions, and contact lenses with effective antimicrobial performance against MK will contribute to the safe use of contact lenses. This review article summarizes and discusses different chemical approaches for the development of antimicrobial contact lenses and lens cases employing passive surface modifications, antimicrobial peptides, free-radical fabricating agents, quorum sensing quenchers, antibiotics, antifungal drugs and various metals and coatings with antimicrobial nanomaterials. The benefits and shortcomings of these approaches are assessed, and alternative solutions for future developments are discussed.


Subject(s)
Anti-Infective Agents , Contact Lenses , Keratitis , Anti-Bacterial Agents , Anti-Infective Agents/pharmacology , Biofilms , Contact Lenses/adverse effects , Humans
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