http://nopr.niscpr.res.in/handle/123456789/59009 2026-10-10T22:21:15Z http://nopr.niscpr.res.in/handle/123456789/61020 Title: New Schiff base copper(II) and nickel(II) complexes for biomedical applications with reference to SARS-CoV-2 and HIV virus Authors: Aprajita; Choudhary, Mukesh Abstract: A series of nickel(II) and copper(II) complexes viz. [Ni(L1)2](1), [Cu(L1)2](2), [Ni(L2)2](3) and [Cu(L2)2](4) (where L1H=(E)-N-phenyl-2-(thiophen-2-ylmethylene)hydrazine-1-carboxamide, L2H=(E)-2-((3-methylthiophen-2-yl) methylene)- N-phenylhydrazine-1-carbothioamide), have been synthesized and designed as potential inhibitors against SARS-CoV-2 and HIV-1 virus. The quantum computational calculations are used for structure-property relationship. A detailed structural and non-covalent supramolecular interaction in the ligand (L1H) is investigated by single crystal structure analysis and computational approaches. Hirshfeld surface analysis is done in the crystal structure of the ligand (L1H), while 3D topology of the crystal packing is visualized through an energy framework. To find potential inhibitors of the SARS-CoV-2 and HIV- 1 virus, molecular docking of the ligands and their corresponding metal complexes with SARS-CoV-2 and HIV-1 virus is performed. The X-ray crystallographic structure of the main protease of the SARS-CoV-2 (PDB ID: 7VNB) and HIV-1 virus (PDB ID: 1REV) is retrieved from the protein data bank and used as receptor proteins. The molecular docking results has shown that Schiff bases and their complexes with SARS-CoV-2 and HIV-1 virus exhibited good binding affinity at binding site of receptor protein. It is also observed that the binding affinities of the Schiff bases and metal complexes towards SARS-CoV-2 are comparatively higher than the HIV virus. This study may offer the new antivirus drug candidates against SARS-CoV-2 and HIV-1 virus. Page(s): 1241-1256 2022-12-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/61019 Title: Synthesis of 2-[{2-(1-Acyl-3-aryl-4,5-dihydro-1H-pyrazol-5-yl)phenoxy}methyl]- 5-aryl-1,3,4-oxadiazoles and related compounds as potential pesticides Authors: Saini, Chhavi; Sangwan, Naresh K Abstract: Cyclization of substituted chalkones 3a,b with hydrazine hydrate followed by acylation of the resulting 3-aryl-4,5- dihydro-5-(2-hydroxyphenyl)-1H-pyrazoles (4a,b) with alkanoic acids furnished 1-acyl-3-aryl-4,5-dihydro-5-(2- hydroxyphenyl)-1H-pyrazoles (5a-d). The compounds 5a-d are also directly prepared by refluxing 3a,b with hydrazine hydrate in alkanoic acids. Alkylation of 5a-d with ethyl chloroacetate yields the corresponding aryloxyacetates 6a-d. Aminolysis of the ester 6a-d results in the formation of corresponding substituted aryloxyacetamides 7a-ℓ. Hydrazinolysis of esters 6a-d with hydrazine hydrate followed by cyclization of the resulting aryloxyacetic acid hydrazides 8a-d with aromatic acids in refluxing POCl3 affords the title compounds 9a-t. The compounds 3-9 have been evaluated for their in vitro growthinhibitory activity against four fungal pests, Alternaria helianthus, Colletotrichum falcatum, fusarium oxysporum and Rhizoctonia solani. Many of the compounds have displayed promising activity at different concentrations ranging from 3.13 – 100 mg L-1. Page(s): 1257-1263 2022-12-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/61018 Title: Efficient conversion of aldoximes into nitriles and ketoximes into amides using bis-morpholinophosphorylchloride Authors: Rao, P Purnachandra; Nowshuddin, Shaik; Jha, Anjali; Rao, B Leela Maheswara; Divi, Murali K; Rao, M N A Abstract: Bis-morpholinophosphorylchloride (bmpc) has been identified as a new reagent to efficiently convert aldoxime into nitriles through dehydrogenation and ketoximes into amides through Beckmann rearrangement. When compared to other chlorophosphate reagents used earlier, which are liquids and irritating, bmpc is a non-irritating stable solid. In all the reactions, products are obtained in high yields and purity. Page(s): 1264-1271 2022-12-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/61017 Title: Synthesis and antitumor activity of novel N-(8-(3-ureidophenyl)imidazo [1,2-a]pyridin-6-yl)acetamide derivatives Authors: Chen, Yu-Mei; Chen, Dong-Mei; Wu, Qing-Mei; Ye, Wen-Jun; Zhao, Chun-Shen; Zhou, Zhi-Xu Abstract: A series of N-(8-(3-ureidophenyl)imidazo[1,2-a]pyridin-6-yl)acetamide derivatives have been synthesized and evaluated for antitumor activity against SMMC7721 cells and HCT116 cells in vitro in order to initially screen out their biological properties and to reveal the role of 8-substituted urea phenyl imidazo[1,2-a]pyridine fragment in the ability of compounds to antitumor activity. The antitumor activity test has shown that most compounds exhibit excellent anticancer activity against SMMC7721 cells and HCT116 cells. The experimental results have proved that N-(8-(3- ureidophenyl)imidazo[1,2-a]pyridin-6-yl)acetamide derivatives containing imidazo[1,2-a]pyridine and urea are promising for further in-depth study of antitumor properties. Page(s): 1272-1277 2022-12-01T00:00:00Z