Selected Botanicals and Plant Products That Lower Blood Glucose (Continued)
Robert Fried, Richard M. Carlton in Type 2 Diabetes, 2018
The extracts and organic fractions of L. chinensis tested yielded a methanol extract and an ethyl acetate fraction found to be potent inhibitors of rat lens aldose reductase (RLAR) in vitro, their IC50 values being 3.6 and 0.3 μg/mL, respectively. The IC50 is the concentration of an inhibitor where the response (or binding) is reduced by half.
Effect of hypoxia on proliferation and glucocorticoid resistance of T-cell acute lymphoblastic leukaemia
Published in Hematology, 2021
Yuanyuan Li, Yi Wei, Ling Gu
All cells were treated with increasing concentrations of Dex for 48 h, followed by assessment of cell viability by MTT assay, which was performed as described previously [18]. IC50 (concentration that inhibits 50%) values calculated by a decrease of 50% in cell viability rate compared to that of the control cell. The coefficient of drug interaction (CDI) was used to analyze the effects of treatment combinations. The CDI is calculated as follows: CDI = AB/ (A×B). According to the absorbance of each group, AB is the ratio of the combination groups to control group; A or B is the ratio of the single treatment group to control group. Thus, a CDI value <1, = 1 or >1 indicates that the drugs are synergistic, additive or antagonistic, respectively. CDI >1.25 indicates that the drugs are significantly antagonistic.
Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets
Published in Expert Review of Clinical Pharmacology, 2021
Shafi Mahmud, Mohasana Akter Mita, Suvro Biswas, Gobindo Kumar Paul, Maria Meha Promi, Shamima Afrose, Robiul Hasan, Sharmin Sultana Shimu, Shahriar Zaman, Salah Uddin, Trina Ekawati Tallei, Talha Bin Emran, Abu Saleh
We have performed the half-maximal inhibitory concentration (IC50) value prediction to understand the plausible experimental antiviral study of the currently studied molecules. The IC50 value is a powerful parameter for quantifying a compound’s ability to inhibit a biological process by half and is widely used to represent the inhibitory effects of compounds. The theoretical IC50 for felmichin, delta-oleanolic acid, emodin 1-O-beta-D-glucoside, and control was 8.0, 0.105, 268.61, 322.42 µM respectively (Table S5). The greater the value, the greater the dose required to achieve the inhibitory effects and consequently, the greater the possibility of off-target drug binding effects and, thus potential toxicity. Thus these results indicate that all compounds; specially delta-oleanolic acid showed better inhibition constant than the control.
Advances and challenges in drug design against tuberculosis: application of in silico approaches
Published in Expert Opinion on Drug Discovery, 2019
Alexey Aleksandrov, Hannu Myllykallio
Although iron is an essential element, it is toxic at higher amounts for pathogens. Thus, the pathogen requires a tight control of the intracellular levels of iron, which in Mtb is performed by the system relying on the transcription factor IdeR. At high concentrations, iron binds and activates IdeR, which then represses the iron acquisition machinery and promotes the synthesis of iron storage proteins. Rohilla et al. [82] designed inhibitors of IdeR binding to DNA. They filtered the NCI library containing 260,000 compounds using the Lipinski rule of five, which resulted in 95,748 compounds. These molecules were subsequently docked using AutoDock 4.2 against the DNA binding domain of IdeR in the available crystal structure. Eighteen compounds out of 123 identified molecules exhibited more than 40% inhibition of the DNA binding activity of IdeR. Nine compounds exhibited IC50 values less than 25 μg/ml. Structural similarity-based screening of the NCI library was carried out to identify additional inhibitors. Based on this search 66 molecules were tested for their potential to inhibit DNA binding ability. Seventeen molecules demonstrated more than 40% inhibition at 100 μg/ml. Nine out of 16 molecules exhibited potent inhibition with IC50 less than 15 μg/ml. Finally, five compounds showed antituberculosis activity with the lowest MIC of 17.5 μg/ml.
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