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  • 1
    Online-Ressource
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    Machine Learning-Based Prediction of Drug-Drug Interactions for Histamine Antagonist Using Hybrid Chemical Features
    MDPI AG ; 2021
    In:  Cells Vol. 10, No. 11 ( 2021-11-09), p. 3092-
    Details
    In: Cells, MDPI AG, Vol. 10, No. 11 ( 2021-11-09), p. 3092-
    Kurzfassung: The requesting of detailed information on new drugs including drug-drug interactions or targets is often unavailable and resource-intensive in assessing adverse drug events. To shorten the common evaluation process of drug-drug interactions, we present a machine learning framework-HAINI to predict DDI types for histamine antagonist drugs using simplified molecular-input line-entry systems (SMILES) combined with interaction features based on CYP450 group as inputs. The data used in our research consisted of approved drugs of histamine antagonists that are connected to 26,344 DDI pairs from the DrugBank database. Various classification algorithms such as Naive Bayes, Decision Tree, Random Forest, Logistic Regression, and XGBoost were used with 5-fold cross-validation to approach a large-scale DDIs prediction among histamine antagonist drugs. The prediction performance shows that our model outperformed previously published works on DDI prediction with the best precision of 0.788, a recall of 0.921, and an F1-score of 0.838 among 19 given DDIs types. An important finding of the study is that our prediction is based solely on the SMILES and CYP450 and thus can be applied at the early stage of drug development.
    Materialart: Online-Ressource
    ISSN: 2073-4409
    URL: Article
    DOI: 10.3390/cells10113092
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2021
    ZDB Id: 2661518-6
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  • 2
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    AIQS-DB: Revolutionizing the Simultaneous Analysis of Organic Compounds
    MDPI AG ; 2023
    In:  Applied Sciences Vol. 13, No. 14 ( 2023-07-10), p. 8031-
    Details
    In: Applied Sciences, MDPI AG, Vol. 13, No. 14 ( 2023-07-10), p. 8031-
    Kurzfassung: This paper reports a database, namely, the Automated Identification and Quantification Database System (AIQS-DB), which consists of three components, including retention times, mass data, and calibration curves, without the requirement to analyze standard substances. The AIQS-DB that are pre-registered in the database are used as the replacement for the process of measuring chemical standards. Both the target and unknown substances in the real samples were determined by the same conditions of GC-MS as those used for the initial database register in the AIQS-DB system. The article provides a comprehensive overview of the wide-ranging applications of AIQS-DB in various fields and highlights its usefulness as a tool for the simultaneous analysis of organic compounds in different matrixes such as water, soil, sediment and air, etc. It could be considered as the basis in further applications of the AIQS-DB method in determining organic compounds in other fields, specifically biology, food, agriculture, medicine, etc., allowing assessment and reflection on the quality and status of the studied products quickly and cost-effectively.
    Materialart: Online-Ressource
    ISSN: 2076-3417
    URL: Article
    DOI: 10.3390/app13148031
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2023
    ZDB Id: 2704225-X
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  • 3
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    Inhibition of α-Glucosidase, Acetylcholinesterase, and Nitric Oxide Production by Phytochemicals Isolated from Millettia speciosa—In Vitro and Molecular Docking Studies
    MDPI AG ; 2022
    In:  Plants Vol. 11, No. 3 ( 2022-01-30), p. 388-
    Details
    In: Plants, MDPI AG, Vol. 11, No. 3 ( 2022-01-30), p. 388-
    Kurzfassung: The phytochemical constituents from the roots of Millettia speciosa were investigated by chromatographic isolation, and their chemical structures were characterized using the MS and NMR spectroscopic methods. A total of 10 compounds, including six triterpenoids, two flavonoids, and two phenolic compounds, were identified from the roots of M. speciosa. Out of the isolated compounds, eight showed inhibitory effects on NO production in lipopolysaccharide (LPS)-stimulated RAW 264.7 cells, with IC50 values ranging from 43.9 to 449.5 µg/mL. Ursane-type triterpenes significantly suppressed NO production compared to the remaining compounds. In addition, these compounds also exhibited remarkable inhibitory effects on α-glucosidase. Among the tested compounds, 4, 5, and 10 exhibited excellent α-glucosidase inhibition, with IC50 values ranging from 1.1 to 2.2 µg/mL. Almost all of the test compounds showed little or no acetylcholinesterase inhibition, except for 5, which showed moderate anti-acetylcholinesterase activity in vitro. The molecular docking study of α-glucosidase inhibition by 3–5 and 10 was conducted to observe the interactions of these molecules with the enzyme. Compounds 4, 5, and 10 exhibited a better binding affinity toward the targeted receptor and the H-bond interactions located at the entrance of the enzyme active site pocket in comparison to those of 3 and the positive control acarbose. Our findings evidence the pharmacological potential of this species and suggest that the phytochemicals derived from the roots of M. speciosa may be promising lead molecules for further studies on the development of anti-inflammatory and anti-diabetes drugs.
    Materialart: Online-Ressource
    ISSN: 2223-7747
    URL: Article
    DOI: 10.3390/plants11030388
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2022
    ZDB Id: 2704341-1
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  • 4
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    Silk Fibroin-Based Biomaterials for Biomedical Applications: A Review
    MDPI AG ; 2019
    In:  Polymers Vol. 11, No. 12 ( 2019-11-24), p. 1933-
    Details
    In: Polymers, MDPI AG, Vol. 11, No. 12 ( 2019-11-24), p. 1933-
    Kurzfassung: Since it was first discovered, thousands of years ago, silkworm silk has been known to be an abundant biopolymer with a vast range of attractive properties. The utilization of silk fibroin (SF), the main protein of silkworm silk, has not been limited to the textile industry but has been further extended to various high-tech application areas, including biomaterials for drug delivery systems and tissue engineering. The outstanding mechanical properties of SF, including its facile processability, superior biocompatibility, controllable biodegradation, and versatile functionalization have allowed its use for innovative applications. In this review, we describe the structure, composition, general properties, and structure-properties relationship of SF. In addition, the methods used for the fabrication and modification of various materials are briefly addressed. Lastly, recent applications of SF-based materials for small molecule drug delivery, biological drug delivery, gene therapy, wound healing, and bone regeneration are reviewed and our perspectives on future development of these favorable materials are also shared.
    Materialart: Online-Ressource
    ISSN: 2073-4360
    URL: Article
    DOI: 10.3390/polym11121933
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2019
    ZDB Id: 2527146-5
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  • 5
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    Potential Use of Moringa oleifera Twigs Extracts as an Anti-Hyperuricemic and Anti-Microbial Source
    MDPI AG ; 2022
    In:  Processes Vol. 10, No. 3 ( 2022-03-14), p. 563-
    Details
    In: Processes, MDPI AG, Vol. 10, No. 3 ( 2022-03-14), p. 563-
    Kurzfassung: Moringa oleifera (MO) grows throughout most of the tropics and has several industrial and medicinal uses. Besides the various uses of the plant parts such as its leaves, seed kernels, roots, or stem barks, the twigs (MT) of this plant are usually regarded as excessive parts. Although there have been few studies conducted to determine the value of this plant part, in fact, its potential uses—especially the pharmaceutical effects—of this biomaterial remains an up-to-date topic for scientists to discover due to the lack of interest so far. This study aims to identify the optimized fractions of different solvents for the extraction of antioxidants, for xanthine oxidase inhibition agents, and for anti-microbial activities. The two most active fractions obtained by column chromatography were the Hexane-Ethyl Acetate elution at a 9:1 (E1) and 8:2 (E2) ratio, respectively. With regard to antioxidant activity, E1 and E2 displayed relatively high DPPH radical scavenging capacity (IC50 = 87.7 and 99.0 µg/mL), which was only four times weaker than the control BHT (IC50 = 21.4 µg/mL). The highest inhibition activity against xanthine oxidase was also observed clearly in E1 and E2, which showed relatively low IC50 (54.7 and 42.0 µg/mL, respectively). These levels were inconsiderably higher than that of the positive control (IC50 = 20.8 µg/mL), proving that E1 and E2 exerted relatively strong antioxidant activity in terms of XOD inhibition. Regarding the antimicrobial test, E2 showed the highest inhibition activities against E. coli, K. pneumoiae, L. monocytogenes, B. subtilis, and P. mirabilis. The result indicates that (1) E1 and E2 were the strongest fractions for constraining free radical agents and several bacteria, and thus, (2) Moringa oleifera twigs are also a potential source for the prevention of gout-related symptoms.
    Materialart: Online-Ressource
    ISSN: 2227-9717
    URL: Article
    DOI: 10.3390/pr10030563
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2022
    ZDB Id: 2720994-5
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  • 6
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    The Engineering of Porous Silica and Hollow Silica Nanoparticles to Enhance Drug-loading Capacity
    MDPI AG ; 2019
    In:  Processes Vol. 7, No. 11 ( 2019-11-04), p. 805-
    Details
    In: Processes, MDPI AG, Vol. 7, No. 11 ( 2019-11-04), p. 805-
    Kurzfassung: As a promising candidate for expanding the capacity of drug loading in silica nanoplatforms, hollow mesoporous silica nanoparticles (HMSNs) are gaining increasing attention. In this study, porous nanosilica (PNS) and HMSNs were prepared by the sol-gel method and template assisted method, then further used for Rhodamine (RhB) loading. To characterize the as-synthesized nanocarriers, a number of techniques, including X-ray diffraction (XRD), transmission electron microscopy (TEM), nitrogen absorption-desorption isotherms, dynamic light scattering (DLS), thermogravimetric analysis (TGA), and Fourier transform infrared spectroscopy (FTIR) were employed. The size of HMSN nanoparticles in aqueous solution averaged 134.0 ± 0.3 nm, which could be adjusted by minor changes during synthesis, whereas that of PNS nanoparticles was 63.4 ± 0.6 nm. In addition, the encapsulation of RhB into HMSN nanoparticles to form RhB-loaded nanocarriers (RhB/HMSN) was successful, achieving high loading efficiency (51.67% ± 0.11%). This was significantly higher than that of RhB-loaded PNS (RhB/PNS) (12.24% ± 0.24%). Similarly, RhB/HMSN also possessed a higher RhB loading content (10.44% ± 0.02%) compared to RhB/PNS (2.90% ± 0.05%). From those results, it is suggested that prepared HMSN nanocarriers may act as high-capacity carriers in drug delivery applications.
    Materialart: Online-Ressource
    ISSN: 2227-9717
    URL: Article
    DOI: 10.3390/pr7110805
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2019
    ZDB Id: 2720994-5
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  • 7
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    Previously Unrecorded Invasive Species and the Unsatisfying Knowledge of Turtle Communities in Northern Vietnam
    MDPI AG ; 2022
    In:  Conservation Vol. 3, No. 1 ( 2022-12-26), p. 1-13
    Details
    In: Conservation, MDPI AG, Vol. 3, No. 1 ( 2022-12-26), p. 1-13
    Kurzfassung: According to the IUCN, Southeast Asia is the area of the world with the highest number of threatened turtle species. The current status of chelonians is particularly catastrophic in Vietnam. However, there is still a lack of field data to unambiguously support this fact for a few species. To better understand the freshwater turtle diversity and eventually undertake efficient conservation actions, we conducted surveys with local fishers using standardized questionnaires in two independent river systems in northern Vietnam. A total of 112 questionnaires were administered to as many fishers in April and October 2022. We directly observed four sympatric freshwater species (Pelodiscus sinensis, Palea steindachneri, Mauremys sinensis and Sacalia quadriocellata) in Lao Cai and Yen Bai provinces, and two species (Pelodiscus sinensis and Palea steindachneri) in Bac Giang, Hai Duong, Thai Binh, and Hung Yen provinces. Based on the interviews, we added as possible the presence of two other species (Rafetus swinhoei and Pelochelys cantorii) in each of the two study areas. Moreover, we recorded for the first time in Vietnam, two wild individuals of an invasive alien species, the Common snapping turtle (Chelydra serpentina), confirming that the distribution and ecology of turtle species in Vietnam is poorly understood. Furthermore, recent photos (year 2019) of a 38 kg softshell turtle, possibly attributable to Rafetus swinhoei, were recorded from a restaurant in the area. In conclusion, interviews with local fishers have been found to be useful for exploring the likely presence and the local distribution of the various turtle species.
    Materialart: Online-Ressource
    ISSN: 2673-7159
    URL: Article
    DOI: 10.3390/conservation3010001
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2022
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  • 8
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    Comprehensive Analysis of Organic Micropollutants in Fine Particulate Matter in Hanoi Metropolitan Area, Vietnam
    MDPI AG ; 2022
    In:  Atmosphere Vol. 13, No. 12 ( 2022-12-12), p. 2088-
    Details
    In: Atmosphere, MDPI AG, Vol. 13, No. 12 ( 2022-12-12), p. 2088-
    Kurzfassung: Rapid urbanization has led to increased environmental pollution in Vietnam, especially air pollution issues. In this study, we used gas chromatography-mass spectrometry with an automated identification and quantification system database to detect and quantitate compounds in atmospheric fine particulate matter (PM2.5). A total of 288 compounds classified in 19 pollutant categories based on their origins were detected in PM2.5 samples collected in three areas of Hanoi during winter. The total content of substances detected ranged from 41.08 to 795.00 ng.m−3. The characteristics and concentrations of organic pollutants differed among the industrial, urban, and agricultural sampling areas, with average concentrations of 179.00, 112.10, and 529.40 ng.m−3, respectively. In this comprehensive study on trace organic compounds conducted with samples collected at three sites, we investigating the basic impact of three main factors on the environment. This study contributes to the literature by providing a data set on the content of trace organic substances in the air at the study site.
    Materialart: Online-Ressource
    ISSN: 2073-4433
    URL: Article
    DOI: 10.3390/atmos13122088
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2022
    ZDB Id: 2605928-9
    SSG: 23
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  • 9
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    Damage Caused by Bacchisa medioviolacea Breuning (Coleoptera: Cerambycidae) in Wild Apple (Docynia indica) Orchards in Northwest Vietnam
    MDPI AG ; 2022
    In:  Horticulturae Vol. 8, No. 12 ( 2022-12-19), p. 1219-
    Details
    In: Horticulturae, MDPI AG, Vol. 8, No. 12 ( 2022-12-19), p. 1219-
    Kurzfassung: The wood-borer Bacchisa medioviolacea Breuning (Coleoptera: Cerambycidae) is identified as a major new pest of Docynia indica (Rosales: Rosaceae) orchards in the northwest mountainous provinces of Vietnam. The life cycle extends over two years (721.7 days ± 17.6 days), with overwintering as larvae. Adults emerge and disperse in summer. Females lay 6–12 eggs during an oviposition period of 2–3 days, and the incubation period ranges from 27 to 38 days. The larval and pupal periods take 554–701 days and 40–59 days, respectively. Adults survive for 12–23 days. In 2019, the damage incidence (P%) and the damage index (DI) in Yen Bai, Lao Cai, Lai Chau, and Dien Bien provinces ranged from 43.5% to 71.6% and 0.80 to 1.78, respectively. Further research on the distribution and host range of B. medioviolacea is required to help formulate a management strategy for this new orchard pest.
    Materialart: Online-Ressource
    ISSN: 2311-7524
    URL: Article
    DOI: 10.3390/horticulturae8121219
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2022
    ZDB Id: 2813983-5
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  • 10
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    Sero-Prevalence of SARS-CoV-2 Antibodies in High-Risk Populations in Vietnam
    MDPI AG ; 2021
    In:  International Journal of Environmental Research and Public Health Vol. 18, No. 12 ( 2021-06-11), p. 6353-
    Details
    In: International Journal of Environmental Research and Public Health, MDPI AG, Vol. 18, No. 12 ( 2021-06-11), p. 6353-
    Kurzfassung: As a response to the coronavirus disease 2019 (COVID-19) pandemic, Vietnam enforced strict quarantine, contact tracing and physical distancing policies resulting in one of the lowest numbers of individuals infected with severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) globally. This study aimed to determine the prevalence of SARS-CoV-2 antibody positivity among high-risk populations in Vietnam. A prevalence survey was undertaken within four communities in Vietnam, where at least two COVID-19 cases had been confirmed. Participants were classified according to the location of exposure: household contacts, close contacts, community members, and healthcare workers (HCWs) responsible for treating COVID-19 cases. Participants completed a baseline questionnaire and SARS-CoV-2 IgG antibodies were quantified using a commercial assay. A total of 3049 community members and 149 health care workers consented to the study. Among 13 individuals who were seropositive (0.4%), five household contacts (5/27, 18.5%), one close contact (1/53, 1.9%), and seven community members (7/2954, 0.2%) had detectable SARS-CoV-2 antibodies. All HCWs were negative for SARS-CoV-2 antibodies. Participants were tested a median of 15.1 (interquartile range from 14.9 to 15.2) weeks after exposure. Our study found a low prevalence of SARS-CoV-2 antibodies in high-risk communities and healthcare workers in communities in Vietnam with known COVID-19 cases.
    Materialart: Online-Ressource
    ISSN: 1660-4601
    URL: Article
    DOI: 10.3390/ijerph18126353
    Sprache: Englisch
    Verlag: MDPI AG
    Publikationsdatum: 2021
    ZDB Id: 2175195-X
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