Using Appropriate Methodology and Technology for Research and Development of African Traditional Medicines
Charles Wambebe in African Indigenous Medical Knowledge and Human Health, 2018
Historically, Sertürner, who isolated morphine, tested it on himself and three 17-year-old children in order to establish that his crystals carried the pharmacological activity of raw opium. In view of its dream-inducing properties, he named his crystalline material “morphium,” a word derived from “Morpheus,” used for the god of dreams. Due to the tremendous progress of biology, a myriad of documents dealing with bioassays is routinely available through databases. And over the last two decades, a wealth of new technologies for bioactivity screening has emerged. Fractionation can be very simple, into a few fractions, or more advanced (Sticher, 2008), such as sophisticated hyphenated techniques (Wolfender et al., 2006). Structure elucidation is an area that has been revolutionized by advances in spectroscopic techniques, particularly mass spectrometry and nuclear magnetic resonance (Fukushi, 2006).
Structure-Function Elucidation of Flavonoids by Modern Technologies
Dilip Ghosh, Pulok K. Mukherjee in Natural Medicines, 2019
Flavonoids have a variety of structures with interesting features. After the antioxidant properties of the flavonoids were deciphered (Thompson et al. 1976; Torel et al. 1986; Husain et al. 1987; Larson 1988), researchers were interested in structural elucidation of these phytochemicals. Structure–activity relationship (SAR) studies revealed the importance of different functional groups and their pharmacological effectiveness. Currently, deciphering biological functions from structural aspects is gaining momentum in our society. Structural elucidation, continual improvement and advancement in separation as well as spectroscopic techniques have made it easier to depict the exact structure of a flavonoid with increasing precision. As depicted by Davies et al. (2006), more than 7000 structures of various flavonoid classes are mentioned and nearly half of them were reported after 1993. This shows a clear implication of the technical advancement on structural elucidation. At later stages, lack of available materials due to the miniscule quantities of flavonoids in plant tissues posed a serious challenge for elucidating the structures properly. More recently, the availability of sensitive spectroscopic and chromatographic techniques has helped in achieving prominence for defining the structure of various flavonoids (Mabry et al. 1970; Markham 1982; Harborne 1998). A few of the major techniques used in modern biochemistry for elucidating the structures are discussed below.
Detection Assays and Techniques Against COVID-19
Hanadi Talal Ahmedah, Muhammad Riaz, Sagheer Ahmed, Marius Alexandru Moga in The Covid-19 Pandemic, 2023
Further analyzing strategies are elaborated as the techniques involved in characterization or structure elucidation like EM, XRD, and AFM that exhibit a full range of techniques that can be strongly employed to detect drug discovery, analysis, and ultimate results for ensuring public health and welfare. The use of advanced technology for scientific development, for example, the improvement of Corona detection bio-sensors, there should be a strong contribution in shaping a new era utilizing the best technical tools for future utilizations. Hence, differences must be highlighted with similarities among the different viral RNA infections and the COVID-19 disease. This will serve the understanding between the present technology and that which will sensitize and characterize the SARS-CoV2 virus [14].
Metabolic profiling of coumarins by the combination of UPLC-MS-based metabolomics and multiple mass defect filter
Published in Xenobiotica, 2020
Yao Xiao, Yi-Kun Wang, Xue-Rong Xiao, Qi Zhao, Jian-Feng Huang, Wei-Feng Zhu, Fei Li
MassHunter Workstation data Acquisition software (Agilent, Santa Clara, CA) was used in quantitative and qualitative analysis of potential metabolites, including molecular feature extraction and manual integration of peak area. The extracted ion chromatogram (EIC) of each metabolite was extracted with ±20 ppm single ion expansion using MassHunter software. The molecular formulae for all compounds ions of the target peaks were calculated from the accurate mass using a formula predictor. The structural elucidation of metabolites was carried out according to previous methods (Zhao et al., 2018). The metabolites mass error was accurately calculated based on the formula: mass error (ppm) = 106 × (experimental molecular weight – theoretical molecular weight)/experimental molecular weight. After the putative metabolites in vitro and in vivo were characterized by OPLS-DA analysis and MMDF analysis, tandem MS of selected candidates was operated in the targeted mode with an isolation width of 0.01 m/z acquired by ramping collision energies 15 eV. The chemical structures of metabolites were elucidated by interpretation of their MS/MS fragmentation patterns.
Boswellic acids: privileged structures to develop lead compounds for anticancer drug discovery
Published in Expert Opinion on Drug Discovery, 2021
Hidayat Hussain, Iftikhar Ali, Daijie Wang, Faruck L. Hakkim, Bernhard Westermann, Luay Rashan, Ishtiaq Ahmed, Ivan R. Green
Structure elucidation of organic compounds in the last two decades has become dramatically easier because of the establishment of more advanced techniques viz., NMR, mass spectrometry (MS), and X-ray crystallography. On the other hand, in the earlier mid-nineteenth century, it was very hard to elucidate the structure of unknown compounds. One of the methods employed to elucidate the structures of unknown triterpenes is to compare its spectral and other properties with known triterpenes. Therefore, Ruzicka and Wirz [45,46] performed experiments in order to correlate BAs with their basic cores. Based on the chemical conversions of BAs, they indicated that ß-boswellic acid and α-boswellic acid are derived from α-amyrine (an ursane type pentacyclic triterpene) and ß-amyrine (an oleanane type pentacyclic triterpene) respectively. Additionally, at that time Ruzicka was also involved between 1921 and 1953 in the development of the isoprene rule [47] and based on this tremendous work he and Butenandt were awarded the Nobel Prize for Chemistry in 1939.
Metabolism of metofluthrin in rats: I. Identification of metabolites
Published in Xenobiotica, 2018
Jun Abe, Hirohisa Nagahori, Hirokazu Tarui, Yoshitaka Tomigahara, Naohiko Isobe
Chemical structures of purified metabolites isolated from rat excreta were determined by nuclear magnetic resonance (NMR) and mass (MS) spectrometry. For all metabolites, 1H NMR and HMBC NMR spectra were obtained by Varian UNITY 400 plus high-resolution FT-NMR spectrometer (Varian, Inc., Palo Alto, CA), except for ME16, MAc8, MAc12 and MAc14(Z), for which only 1H NMR spectrum was obtained by the same instrument. ESI-MS, APCI-MS, EI-MS and FD-MS spectra were obtained by LCQ DECA XP (Thermo Fisher Scientific, Waltham, MA), Hitachi M-1000 (Hitachi), JMS-AX505W (JEOL, Ltd., Tokyo, Japan) and JMS-SX102A (JOEL, Ltd.), respectively. Since it was considered that MS and MSn fragment data are not enough to elucidate the complicated structure of the metabolites nor to define the metabolised positions accurately, we conducted the MS analysis only to determine the molecular weight of the metabolites. Structure elucidation was done by 1D and 2D NMR analysis.
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