Exploring biological efficacy of novel benzothiazole linked 2, 5-disubstituted-1, 3, 4-oxadiazole hybrids as efficient α-amylase inhibitors: Synthesis, characterization …
In an effort to explore a class of novel antidiabetic agents, we have made an effort to
synergize the α-amylase inhibitory potential of 1, 3-benzothiazole and 1, 3, 4-oxadiazole …
synergize the α-amylase inhibitory potential of 1, 3-benzothiazole and 1, 3, 4-oxadiazole …
Design, synthesis, spectroscopic characterization, single crystal X-ray analysis, in vitro α-amylase inhibition assay, DPPH free radical evaluation and computational …
In our quest to design and develop N/O-containing inhibitors of α-amylase, we have tried to
synergize the inhibitory action of 1, 4-naphthoquinone, imidazole and 1, 2, 3-triazole motifs …
synergize the inhibitory action of 1, 4-naphthoquinone, imidazole and 1, 2, 3-triazole motifs …
Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and …
The interpretation of the CO 2 capture capacity of the deep eutectic solvents (DESs) as a
mathematical function of (i) hydrogen bond acceptor (HBA);(ii) hydrogen bond donor …
mathematical function of (i) hydrogen bond acceptor (HBA);(ii) hydrogen bond donor …
CORAL: Development of a hybrid descriptor based QSTR model to predict the toxicity of dioxins and dioxin-like compounds with correlation intensity index and …
In the present study, ninety-five halogenated dioxins and related chemicals (dibenzo-p-
dioxins, dibenzofurans, biphenyls, and naphthalene) with endpoint pEC 50 were used to …
dioxins, dibenzofurans, biphenyls, and naphthalene) with endpoint pEC 50 were used to …
Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based …
Abstract α-Amylase (EC. 3.2. 1.1) is a ubiquitous digestive endoamylase. The abrupt rise in
blood glucose levels due to the hydrolysis of carbohydrates by α-amylase at a faster rate is …
blood glucose levels due to the hydrolysis of carbohydrates by α-amylase at a faster rate is …
Unravelling the thermodynamics and binding interactions of bovine serum albumin (BSA) with thiazole based carbohydrazide: Multi-spectroscopic, DFT and molecular …
In the present manuscript, a novel 2-((4-chlorophenyl) amino)-N'-(4-(diethylamino)-2-
hydroxybenzylidene) thiazole-4-carbohydrazide (H1) has been synthesized and …
hydroxybenzylidene) thiazole-4-carbohydrazide (H1) has been synthesized and …
QSRR modelling for the investigation of gas chromatography retention indices of flavour and fragrance compounds on Carbowax 20 M glass capillary column with …
The goal of the present study was to use a quantitative structure-retention relationship
(QSRR) for the retention indices of 1179 flavour and fragrance organic compounds using the …
(QSRR) for the retention indices of 1179 flavour and fragrance organic compounds using the …
Correlation intensity index (CII) as a benchmark of predictive potential: Construction of quantitative structure activity relationship models for anti-influenza single …
P Kumar, A Kumar - Journal of Molecular Structure, 2021 - Elsevier
The influenza virus threat continues to be a major global health issue. Although
comprehensive studies concentrate on anti-influenza testing, however, the worldwide …
comprehensive studies concentrate on anti-influenza testing, however, the worldwide …
CORAL: Quantitative Structure Retention Relationship (QSRR) of flavors and fragrances compounds studied on the stationary phase methyl silicone OV-101 column …
The quantitative structure-retention relationship (QSRR) is a significant approach in
chromatography and is used to predict the retention time of unknown compounds. In the …
chromatography and is used to predict the retention time of unknown compounds. In the …
Design of potent inhibitors targeting the main protease of SARS-CoV-2 using QSAR modeling, molecular docking, and molecular dynamics simulations
M Oubahmane, I Hdoufane, C Delaite, A Sayede… - Pharmaceuticals, 2023 - mdpi.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is a serious
global public health threat. The evolving strains of SARS-CoV-2 have reduced the …
global public health threat. The evolving strains of SARS-CoV-2 have reduced the …