Research progress on the synthesis and pharmacology of 1, 3, 4-oxadiazole and 1, 2, 4-oxadiazole derivatives: a mini review

JJ Wang, W Sun, WD Jia, M Bian… - Journal of Enzyme …, 2022 - Taylor & Francis
Oxadiazole is a five-membered heterocyclic compound containing two nitrogen atoms and
one oxygen atom. The 1, 3, 4-oxadiazole and 1, 2, 4-oxadiazole have favourable physical …

Identification of 1, 3, 4-oxadiazolyl-containing β-carboline derivatives as novel α-glucosidase inhibitors with antidiabetic activity

D Xiao, L Lu, B Liang, Z Xiong, X Xu… - European Journal of …, 2023 - Elsevier
In this study, we designed and synthesized a novel class of 1, 3, 4-oxadiazolyl-containing β-
carboline derivatives, ie, compounds f1∼ f35 as potential α-glucosidase inhibitors. All the …

Design, synthesis, spectroscopic characterization, single crystal X-ray analysis, in vitro α-amylase inhibition assay, DPPH free radical evaluation and computational …

M Devi, P Kumar, R Singh, J Sindhu… - European Journal of …, 2023 - Elsevier
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 …

CORAL: Development of a hybrid descriptor based QSTR model to predict the toxicity of dioxins and dioxin-like compounds with correlation intensity index and …

P Kumar, A Kumar, D Singh - Environmental Toxicology and Pharmacology, 2022 - Elsevier
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 …

In Silico and in Vitro Biological Evaluation of Novel Serial Sulfonate Derivatives on Pancreatic Lipase Activity

F Yetişsin, A Korkmaz, E Kaya - Chemistry & Biodiversity, 2023 - Wiley Online Library
The novel benzothiazole sulfonate hybrid derivatives containing azomethine group were
synthesized and characterized using 1H‐NMR, 13C‐NMR, and HR‐MS analysis. The …

Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based …

R Singh, P Kumar, J Sindhu, M Devi, A Kumar… - Computers in Biology …, 2023 - Elsevier
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 …

Monte Carlo based QSGFEAR: prediction of Gibb's free energy of activation at different temperatures using SMILES based descriptors

R Singh, P Kumar, M Devi, S Lal, A Kumar… - New Journal of …, 2022 - pubs.rsc.org
In the present manuscript, we have endeavored to construct quantitative structure Gibb's free
energy of activation relationship (QSGFEAR) models having general applicability and …

QSRR modelling for the investigation of gas chromatography retention indices of flavour and fragrance compounds on Carbowax 20​ M glass capillary column with …

A Kumar, P Kumar, D Singh - Chemometrics and Intelligent Laboratory …, 2022 - Elsevier
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 …

Identification and exploration of quinazoline-1, 2, 3-triazole inhibitors targeting EGFR in lung cancer

S Kumar, S Sengupta, I Ali, MK Gupta… - Journal of …, 2023 - Taylor & Francis
Epidermal growth factor receptor (EGFR) enhances lung cancer development, due to their
inability to permeate the cell membrane, secreted growth factors work through specialized …

CORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors

S Ahmadi, S Lotfi, S Afshari, P Kumar… - SAR and QSAR in …, 2021 - Taylor & Francis
Global QSAR modelling was performed to predict the pIC50 values of 233 diverse
heterocyclic compounds as BTK inhibitors with the Monte Carlo algorithm of CORAL …