Showing papers by "Jatinder Kaur published in 2021"
TL;DR: In this article, a series of 1,3,5-trisubstituted 2-pyrazolines for the inhibition of cyclooxygenase-2 (COX-2) were synthesized.
Abstract: A new series of 1,3,5-trisubstituted 2-pyrazolines for the inhibition of cyclooxygenase-2 (COX-2) were synthesized. The designed structures include a COX-2 pharmacophore SO2 CH3 at the para-position of the phenyl ring located at C-5 of a pyrazoline scaffold. The synthesized compounds were tested for in vitro COX-1/COX-2 inhibition and cell toxicity against human colorectal adenocarcinoma cell lines HT-29. The lead compound (4-chlorophenyl){5-[4-(methanesulfonyl)phenyl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}methanone (16) showed significant COX-2 inhibition (IC50 =0.05±0.01 μM), and antiproliferative activity (IC50 =5.46±4.71 μM). Molecular docking studies showed that new pyrazoline-based compounds interact via multiple hydrophobic and hydrogen-bond interactions with key binding site residues of the COX-2 enzyme.
4 citations
TL;DR: The reported new chemical toolbox enables precise visualization and tracking of COX-2 in live cells with superior sensitivity in the visible range and competitive binding studies, biophysical, and comprehensive computational analyses were used to describe protein-ligand interactions.
Abstract: Live-cell imaging with fluorescent probes is an essential tool in chemical biology to visualize the dynamics of biological processes in real-time. Intracellular disease biomarker imaging remains a formidable challenge due to the intrinsic limitations of conventional fluorescent probes and the complex nature of cells. This work reports the in cellulo assembly of a fluorescent probe to image cyclooxygenase-2 (COX-2). We developed celecoxib-azide derivative 14, possessing favorable biophysical properties and excellent COX-2 selectivity profile. In cellulo strain-promoted fluorogenic click chemistry of COX-2-engaged compound 14 with non/weakly-fluorescent compounds 11 and 17 formed fluorescent probes 15 and 18 for the detection of COX-2 in living cells. Competitive binding studies, biophysical, and comprehensive computational analyses were used to describe protein-ligand interactions. The reported new chemical toolbox enables precise visualization and tracking of COX-2 in live cells with superior sensitivity in the visible range.
4 citations
TL;DR: In this paper, thin films of Eu, Dy, and Er-doped CaWO4 and CaMoO4 were synthesized by pulsed laser deposition on fused silica substrates.
Abstract: Crystalline thin films of Eu, Dy, and Er-doped CaWO4 and CaMoO4 of thicknesses 100–150 nm were synthesized by pulsed laser deposition on fused silica substrates. The atomic force and scanning electron microscopy studies confirm uniform and dense surface morphology of the samples. Tetragonal CaWO4 films show preferred growth of crystallites of (112) orientation. CaMoO4 shows texturing of crystallites of (004) orientation, while (112) crystallites are favored upon doping with rare earth ions. CaWO4 has a higher optical bandgap (5.0–5.2 eV) than CaMoO4 (3.6–4.4 eV), and both materials show blue light emission with stronger luminescence in molybdate samples. Eu doped CaWO4 and CaMoO4 produce red light emission, while Er-doped samples emit green light. The samples 1 mol.% Dy2O3–CaWO4 and 2 mol.% Eu2O3–5 mol.% Dy2O3–CaWO4 exhibit white light emission properties.
4 citations
TL;DR: In this paper, an autoregressive integrated moving average (ARIMA) model was used to predict the trend of the number of infected people in most affected states of India and the effect of a rise in temperature on COVID-19 cases.
Abstract: Coronavirus disease knocked in Wuhan city of China in December 2019 which spread quickly across the world and infected millions of people within a short span of time. COVID-19 is a fast-spreading contagious disease which is caused by SARS-CoV-2 (severe acute respiratory syndrome-coronavirus-2). Accurate time series forecasting modeling is the need of the hour to monitor and control the universality of COVID-19 effectively, which will help to take preventive measures to break the ongoing chain of infection. India is the second highly populated country in the world and in summer the temperature rises up to 50°, nowadays in many states have more than 40° temperatures. The present study deals with the development of the autoregressive integrated moving average (ARIMA) model to predict the trend of the number of COVID-19 infected people in most affected states of India and the effect of a rise in temperature on COVID-19 cases. Cumulative data of COVID-19 confirmed cases are taken for study which consists of 77 sample points ranging from 1st March 2020 to 16th May 2020 from six states of India namely Delhi (Capital of India), Madya Pradesh, Maharashtra, Punjab, Rajasthan, and Uttar Pradesh. The developed ARIMA model is further used to make 1-month ahead out of sample predictions for COVID-19. The performance of ARIMA models is estimated by comparing measures of errors for these six states which will help in understanding future trends of COVID-19 outbreak. Temperature rise shows slightly negatively correlated with the rise in daily cases. This study is noble to analyse the variation of COVID-19 cases with respect to temperature and make aware of the state governments and take precautionary measures to flatten the growth curve of confirmed cases of COVID-19 infections in other states of India, nearby countries as well.
3 citations
TL;DR: The synthesis and validation of 3-(furan-2-yl)-N-aryl 5-amino-pyrazoles as a novel class of COX-1 inhibitors is described, including molecular docking studies, to confirm its usefulness for targeting and visualizing COx-1 in living cells with confocal microscopy.
Abstract: Recent experimental evidence demonstrated an aberrant overexpression of cyclooxygenase-1 (COX-1) in various cancers, which has stimulated the development of COX-1-selective inhibitors as promising anticancer drugs and cancer imaging agents. Herein we describe the synthesis and validation of 3-(furan-2-yl)-N-aryl 5-amino-pyrazoles as a novel class of COX-1 inhibitors, including molecular docking studies. Among all tested compounds, 4-(5-azido-3-(furan-2-yl)-1H-pyrazol-1-yl)benzoic 17 displayed a favorable COX-1 inhibition and selectivity profile (COX-1 IC50 = 0.1 μM, SI >1000 over COX-2). Compound 17 was selected as a lead structure for developing the novel COX-1-selective fluorescent probe 22. Fluorescent probe 22 was prepared via click chemistry by installing a nitro-benzoxadiazole motif as a fluorophore into the 3-(furan-2-yl)-N-aryl 5-amino-pyrazole scaffold. Fluorescence probe 22 was tested in ovarian cancer cell line OVCAR-3, confirming its usefulness for targeting and visualizing COX-1 in living cells with confocal microscopy.
3 citations