http://nopr.niscpr.res.in/handle/123456789/60501 Sun, 11 Oct 2026 23:15:46 GMT 2026-10-11T23:15:46Z http://nopr.niscpr.res.in/handle/123456789/60515 Title: Thallium(III) p-tosylate (TTS) mediated oxidative rearrangement of 2-naphthyl and 2-heteroarylchromanones Authors: Kurapati, Chidvilas; Muthukrishnan, M; Singh, Om V; Gundla, Rambabu Abstract: A practical and effective approach towards the synthesis of 3-hetroaryl-4H-chromen-4-ones by the oxidative rearrangement of the respective 2-hetroaryl chroman-4-ones using thallium(III) p-tosylate is described. The oxidative rearrangement of α and β-naphthyl and thiophene behave like aryl groups. However, pyridyl groups give only the dehydrogenated product. Page(s): 923-927 Thu, 01 Sep 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60515 2022-09-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60514 Title: Synthesis, structural, spectral and molecular docking of Ni(II) and Pd(II) complexes with isatin moiety and their DNA cleavage activity Authors: Ali, Amna Q; Hamil, Abdusalam M; Eltayeb, Naser E; Teoh, Siang G; Soliman, Saied M Abstract: New complexes of Ni(II) and Pd(II) with Schiff base ligand derived from 5-nitro isatin with 4-phenyl-3- thiosemicarbazide have been synthesized in absolute ethanol. The isolated solid compounds have been characterized by elemental analyses and spectral (FT-IR, 1H NMR and UV-Vis) measurements. The Schiff base ligand has been further characterized by single-crystal XRD. It has been found that the Schiff base ligand behaves as a tridentate ligand forming chelates with 1:2 (metal:ligand) in the case of Ni-complex and 1:1 (metal:ligand) in the case of Pd-complex. Octahedral geometry has been suggested for the Ni(II) chelate while square-planar geometry has been suggested for the Pd(II) chelate. The supramolecular structure of the thiosemicarbazide is controlled by large number of short intermolecular contacts such as O…H, H…H, C…C, S…C, S…H, S…N, H…C, N…O and C…O interactions where the most dominant contacts are H…H, H…C, C…C, O…H and S…H interactions. The optimized molecular geometry calculated at B3LYP/6-31G(d,p) level agreed very well with the reported X-ray structure. The two bands observed at 434 and 250 nm in the UV-Vis spectrum of the compound in DMSO as solvent have been calculated using TD-DFT method at 430.9 nm (f = 0.1178) and 257.2 nm (f = 0.387), respectively. These bands have been assigned to HOMO→LUMO (96%) and HOMO→LUMO+2 (90%) excitations which belong to n-π* and π-π* transitions, respectively. All the synthesized compounds have been tested against supercoiled pBR322 DNA. These compounds have been found to promote the cleavage of plasmid DNA in the presence of H2O2. The molecular docking of the ligand and its metal complexes refer to groove binding toward the DNA with high docking score of Ni(II) complex rather than the corresponding ligand and Pd(II) complex. Page(s): 928-942 Thu, 01 Sep 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60514 2022-09-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60513 Title: A convenient and eco-friendly one-pot synthesis of 3-triazolyl-2-iminochromenes and investigation of their antioxidant properties Authors: Basha, Khadhar Navaz Umar; Gnanamani, Shanthi; Shanmugam, Prakash; Venugopal, Sujatha Abstract: A simple, green and efficient procedure for the synthesis of highly functionalized 3-triazolyl-2-iminochromenes by using a one-pot three component reaction of 2-azido acetonitrile, phenylacetylene and salicylaldehyde in water using CuI/K2CO3 is described. The present protocol offers advantages like high atom economy, simple methodology, shorter reaction time, easy product isolation, no chromatographic purification and avoidance of environmentally hazardous solvents. Compounds 4a-d, 4g-h and 6a-b have been investigated for antioxidant activity. Compound 4c is found to be the most active among the series showing high reducing power and free radical scavenging activity. Page(s): 943-950 Thu, 01 Sep 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60513 2022-09-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60510 Title: DMAP-catalysed synthesis, antibacterial activity evaluation, cytotoxicity and docking studies of some heterocyclic molecules bearing sulfonamide moiety Authors: Naaz, Farha; Srivastava, Ritika; Yadav, Madhu; Singh, Vishal K; Mishra, Richa; Chaurasia, Himani; Singh, Ramendra K Abstract: DMAP has been shown to be a highly efficient nucleophilic catalyst when compared to triethylamine and pyridine using acetonitrile as solvent for the synthesis of a series of novel N- heterocyclic sulfonamide derivatives. The influence of the reaction parameters, like choice of solvent, catalyst, amount of catalyst and reaction time on product yield has been studied. Antibacterial screening involving a range of sulfonamide analogues as new peptide deformylase (PDF) inhibitors have been focused. The molecules show significant antibacterial activity (MIC value 6.2 − 3.1 μg/mL) against B. subtilis, S. pyrogenes, P. vulgaris and P. mirabilis. Potential in silico docking studies have been in conjugation with in vitro antibacterial results. Molecular docking of all compounds with PDF enzyme (PDB code: 1G2A) explain how certain moieties play significant roles in increasing the binding interactions and stabilizing the protein-ligand complexes. The compounds also confirm low extent of cytotoxicity when tested on HEL and HeLa cell lines. Page(s): 951-960 Thu, 01 Sep 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60510 2022-09-01T00:00:00Z