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Selective Antimicrobial Agents from Terrestrial Plants A Hope in the Battle of Infection
Published in Mahendra Rai, Chistiane M. Feitosa, Eco-Friendly Biobased Products Used in Microbial Diseases, 2022
Fadia S. Youssef, Mohamed L. Ashour
C. inerme root extract showed potent antifungal activity against Aspergillus niger, Monascus rubber, Candida albicans and Aspergillus fumigatus, particularly the Monascus ruber comparable to the standard drug clotrimazole. In addition, the essential oil of C. inerme leaves showed significant antibacterial, antifungal and anti-MRSA activity that could be attributed to the prevalence of secondary metabolites represented by isoeugenol (35.50%), di-Bu phthalate (27.52%), eugenol (5.67%), α-pinene (5.54%) in addition to minor compounds as Benzoic acid, 4-formyl-benzoic acid Et ester (3.44%) and 2-Nitro-1-octanol (4.08%) as revealed by GC analysis (Kor-arnan and Thiraphibundet 2016).
Monographs of fragrance chemicals and extracts that have caused contact allergy / allergic contact dermatitis
Published in Anton C. de Groot, Monographs in Contact Allergy, 2021
Caprylic alcohol (1-octanol) has been identified by chemical analysis in 22 of 91 essential oils, which have caused contact allergy / allergic contact dermatitis. In none of these oils, it belonged to the ‘Top-10’ of ingredients with the highest concentrations (5).
Bioavailability of inhaled compounds
Published in Anthony J. Hickey, Heidi M. Mansour, Inhalation Aerosols, 2019
The physicochemical parameter that most influences the permeation of the drug into lung tissue is the partition coefficient (Log P), which is defined as the log of the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents, most commonly 1-octanol and water (11), as follows:
Non-specific binding of compounds in in vitro metabolism assays: a comparison of microsomal and hepatocyte binding in different species and an assessment of the accuracy of prediction models
Published in Xenobiotica, 2022
Iain Gardner, Mandy Xu, Chunyan Han, Yi Wang, Xingjin Jiao, Masoud Jamei, Hiba Khalidi, Peter Kilford, Sibylle Neuhoff, Roz Southall, David B. Turner, Helen Musther, Barry Jones, Simon Taylor
The partition coefficient between 1-octanol and aqueous buffer at pH 7.4 (logD7.4) was measured using a shake flask technique. Briefly, test compounds (15 μL of 10 mM DMSO stock solution), 500 μL of 1-octanol saturated PBS (pH 7.4), and 500 μL of PBS saturated 1-octanol were added to glass vials and shaken at 25 °C, 1,100 rpm for 1 hour. Subsequently, the samples were centrifuged at 25 °C at 20,000 g for 20 minutes to separate the phases. Following separation of the phases, aliquots of 5 μL were taken from the upper octanol phase and added to 495 μL of acetonitrile. Following mixing a 50 μL aliquot was further diluted with 450 μL of acetonitrile. For the lower buffer phase, 50 μL aliquots were taken and diluted with 450 μL of acetonitrile. Aliquots of each final dilution (100 μL) were transferred to a fresh 96-well plate, mixed with an equal volume of water prior to analysis by UPLC-MS/MS as previously described. Test compound peak areas were integrated using Analyst® software version 1.6.
MDCKpred: a web-tool to calculate MDCK permeability coefficient of small molecule using membrane-interaction chemical features
Published in Toxicology Mechanisms and Methods, 2018
Rikin D. Patel, Sivakumar Prasanth Kumar, Himanshu A. Pandya, Hitesh A. Solanki
The numerical measure of hydrophobicity and lipophilicity, clogP (log of the 1 – octanol/water partition coefficient) (Butina et al. 2002) is the most influential descriptor in modeling drug passive permeation and absorption. Membrane-interaction quantitative structure–activity relationship (MI-QSAR) models also contained clogP and a masked descriptor, aqueous solvation-free energy, in relating MDCK (R2 = 0.65) (Chen et al. 2005), and Caco-2 (R2 = 0.75) (Kulkarni et al. 2002) permeabilities, respectively. The increase in clogP value enhances lipophilicity and permeability but reduces the solubility of a molecule (Yamashita et al. 1997). The correlation of clogP to Caco-2 Papp provides assorted results, sigmoidal (Hilgers et al. 1990), and poor linear (Artursson and Karlsson 1991) relationships. The relationship between clogP and MDCK Papp is moderate (Rs = 0.50; Irvine et al. 1999). To enhance better correlation with permeability coefficients, other descriptors such as H-bonding capacity, polarity, and molecular surface are routinely incorporated into modeling (Iyer et al. 2002); however, these solute descriptors are limited in 3D structural information and hence, less explored in understanding solute properties.
Preparation of technetium-99m labeled ibuprofen by direct route and technetium-99m tricarbonyl route: a comparison of in vivo behaviors
Published in Drug Development and Industrial Pharmacy, 2020
Kubra Durkan, Cigdem Ichedef, Ayfer Yurt Kılcar, Mesut Arıcı, Eser Ucar
Lipophilicity values of radiolabeled ibuprofen compounds were ascertained by measuring the partition coefficient between 1-octanol and phosphate buffer solution (pH 7.4). In a centrifuge tube containing 3 mL of each phase, 0.1 mL of each of the 99mTc-ibuprofen and 99mTc-(CO)3-ibuprofen compounds was added. The tubes were vortexed and then centrifuged at 671 g for 30 min, and then aliquots (0.1 mL) of each separated phase were counted in a Cd(Te) detector. The partition coefficient was determined by the function: Partition coefficient = log10 (counts in n-octanol phase/counts in aqueous phase) [19]. Experiments were repeated three times for each radiolabeled ibuprofen.