Chelation-Assisted Copper-Mediated Direct Acetylamination of 2‑Arylpyridine C–H Bonds with Cyanate Salts

In this study, the coupling of 2-phenylpyridine derivatives and potassium cyanate through C–H bond functionalization in the presence of a copper salt is developed for the first time. By this protocol, various heteroarylated acetanilide derivatives are synthesized in good yields. 2-Phenylpyridines containing electron-donating and -withdrawing groups appear to be well-tolerated by this transformation

New Quinoline Analogues: As Potential Diabetics Inhibitors and Molecular Docking Study

The 7-quinolinyl bearing 1,3,4-thiadiazole-2-amine analogues were synthesized (1–17) and based on the literature these analog were screened in vitro for their α-amylase and α-glucosidase inhibitory profile. All analogues showed moderate to good inhibitory potentials ranging between 0.80 ± 0.05 µM to 40.20 ± 0.70 µM and 1.20 ± 0.10 µM to 43.30 ± 0.80 µM against α-amylase and α-glucosidase. Among the series, analogues 2 (IC50 = 2.10 ± 0.10 µM), (IC50 = 2.40 ± 0.10 µM), 3 (IC50 = 0.80 ± 0.05 µM), (IC50 = 1.20 ± 0.10 µM) and 4 (IC50 = 1.50 ± 0.10 µM), (IC50 = 1.90 ± 0.10 µM) with flouro substitution at phenyl ring of the 1,3,4-thiadiazole ring were identified to be the most potent inhibitors against α-amylase and α-glucosidase enzymes. The structure of all the newly synthetics analogues were confirmed by using different types of spectroscopic techniques such as HREI-MS, 1H- and 13C-NMR spectroscopy. To find structure-activity relationship, molecular docking studies were carry out to understand the binding mode of active inhibitors with active site of enzymes and results supported the experimental data. Due to the most potent inhibitory activity of analogue 4 among all the synthesized compound, it was screened against streptozotocin induced diabetic animal model.</p

Synthetic Transformation of 2‑{2-Fluoro[1,1′-biphenyl]-4-yl} Propanoic Acid into Hydrazide–Hydrazone Derivatives: <i>In Vitro</i> Urease Inhibition and <i>In Silico</i> Study

In the present study, 28 acyl hydrazones (4–31) of flurbiprofen were synthesized in good to excellent yield by reacting different aromatic aldehydes with the commercially available drug flurbiprofen. The compounds were deduced with the help of different spectroscopic techniques like 1H-NMR and HREI-MS and finally evaluated for in vitro urease inhibitory activity. All of the synthesized products demonstrated good inhibitory activities in the range of IC50 = 18.92 ± 0.61 to 90.75 ± 7.71 μM as compared to standard thiourea (IC50 = 21.14 ± 0.42 μM). Compound 30 was found to be the most active among the series better than the standard thiourea. A structure–activity relationship (SAR) study revealed that the presence of electron-donating groups on the phenyl ring plays a prominent role in the inhibition of the urease enzyme. Moreover, in silico molecular modeling analysis was carried out to study the effect of substituents in synthesized derivatives on the binding interactions with the urease enzyme

Antimicrobial and antioxidant activities of a new metabolite from <i>Quercus incana</i>

<p>Phytochemical investigations of <i>Quercus incana</i> led to the isolation of a new catechin derivative quercuschin (<b>1</b>), along with six known compounds: quercetin <b>(2</b>), methyl gallate (<b>3</b>), gallic acid (<b>4</b>), betulinic acid (<b>5</b>), (<i>Z</i>)-9-octadecenoic acid methyl ester (<b>6</b>) and β-sitosterol glucoside (<b>7</b>) from the ethyl acetate fraction of methanolic extract of the bark. Compound <b>1</b> was screened for its antibacterial, antifungal and antioxidant potential. Antibacterial and antifungal activities of the compound were tested against different bacterial and fungal strains, employing the agar well diffusion methods. The antibacterial activity was the highest against <i>Streptococcus pyogenes</i> with 80.0% inhibition, while the antifungal activity of the compound was the highest against <i>Candida glabrata</i> with 80.5% inhibition. The results of the antioxidant activity indicated that the compound exhibited antioxidant activity comparable to that of standard, butylated hydroxyanisole (51.2 μg/10 μl versus 45.9 μg/10 μl).</p

Evaluation of synthetic aminoquinoline derivatives as urease inhibitors: in vitro, in silico and kinetic studies

suppl data</p

Diphenyl-substituted triazine derivatives: synthesis, α-glucosidase inhibitory activity, kinetics and in silico studies

mass spec data</p

Unsymmetrical thiourea derivatives: synthesis and evaluation as promising antioxidant and enzyme inhibitors

suppl info</p

Synthesis of indole derivatives as Alzheimer inhibitors and their molecular docking study

Acetylcholinesterase prevails in the healthy brain, with butyrylcholinesterase reflected to play a minor role in regulating brain acetylcholine (ACh) levels. However, BuChE activity gradually increases in patients with (AD), while AChE activity remains unaffected or decays. Both enzymes therefore represent legitimate therapeutic targets for ameliorating the cholinergic deficit considered to be responsible for the declines in cognitive, behavioural, and global functioning characteristic of AD. Current study described the synthesis of indole-based sulfonamide derivatives (1-23) and their biological activity. Synthesis of these scaffolds were achieved by mixing chloro-substituted indole bearing amine group with various substituted benzene sulfonyl chloride in pyridine, under refluxed condition to obtained desired products. All products were then evaluated for AchE and BuchE inhibitory potential compare with positive Donepezil as standard drug for both AchE and BchE having IC50 = 0.016 ± 0.12 and 0.30 ± 0.010 μM respectively. In this regard analog 9 was found potent having IC50 value 0.15 ± 0.050 μM and 0.20 ± 0.10 for both AchE and BuChE respectively. All other derivatives also found with better potential. All compounds were characterized by various techniques such as 1H, 13C-NMR and HREI-MS. In addition, biological activity was maintained to explore the bioactive nature of scaffolds and their protein-ligand interaction (PLI) was checked through molecular docking study. Communicated by Ramaswamy H. Sarma</p

Revised-Acridine-Thiosemicarbazones _NMR spectra and other from Novel acridine-based thiosemicarbazones as ‘turn-on' chemosensors for selective recognition of fluoride anion: aspectroscopic and theoretical study

DOI: https://doi.org/10.5061/dryad.9nq2kc4/

Revised-Acridine-Thiosemicarbazones _NMR spectra and other from Novel acridine-based thiosemicarbazones as ‘turn-on' chemosensors for selective recognition of fluoride anion: aspectroscopic and theoretical study

DOI: https://doi.org/10.5061/dryad.9nq2kc4/