http://nopr.niscpr.res.in/handle/123456789/65231 2026-10-10T21:25:27Z http://nopr.niscpr.res.in/handle/123456789/65241 Title: Energy-efficient synthesis of ZnO nanoparticles using white ash gourd fruit extract for their medicinal and environmental applications Authors: Kant, Ravi; Chahar, Monika; Mittal, Anuj Abstract: This work reports the green synthesis of ZnO nanoparticles (NPs) using white ash gourd fruit juice. The synthesized NPs have been characterized by various spectroscopic techniques like UV-Visible, FT-IR, Powder XRD and FE-SEM. These NPs display a prominent absorbance at 357 nm in UV-Visible spectra. X-ray diffraction studies confirm the formation of crystalline ZnO NPs with the wurtzite phase. The average particle size (D) of the synthesized ZnO NPs is found to be 40.48 nm. FE-SEM images reveal that synthesized ZnO NPs have nano-flaky structures. The prepared ZnO NPs have achieved 99% photodegradation efficiency against MB dye in 90 min of irradiation of UV light. These synthesized NPs have also been examined for three biological activities: Antimicrobial, antioxidant and anti-diabetic. Antimicrobial activity has been found to be good to moderate. The synthesized ZnO NPs show excellent anti-diabetic activity (α-amylase activity) compared to standard with IC50 value equal to 1.21 μg/mL. For α-glucosidase, green synthesized ZnO NPs (IC50 value 0.23 μg/mL) exhibit excellent inhibition activity compared to standard Acarbose (IC50 value 0.24 μg/mL). ZnO NPs show better antioxidant capability as well. Page(s): 13-21 2025-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/65240 Title: Ligand based pharmacophoric discovery of new CLK1 inhibitors Authors: Alli, Vidya Jyothi; Sule, Swapnil Anil; Mounika, Darna; Pulla, Sai Satya Sri; Yadav, Pawan; Jadav, Surender Singh Abstract: CLK1 has been recognized as an optimistic target against an array of diseases, including cancer due to their pre-mRNA splicing function. In this study, ligand-based pharmacophore approach has been employed to identify new CLK1 inhibitors from kinase and FDA approved drug libraries. Two ligands, K6 and D1 have been extracted, which established consistent interactions with hinge residues while maintaining a web of interactions in DFG region. Additionally, their stable protein dynamics comparable with reference CLK1 inhibitor (T24) and Apo ratify them as aspiring CLK1 inhibitors. Further, D1 has been identified as a CLK1 binder and K6 as a potential kinase inhibitor by Swiss Target Prediction server. Moreover, their adequate pharmacokinetic and toxicity profiles make them worth future investigations. Page(s): 22-37 2025-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/65239 Title: Synthesis, characterization and fluorescence spectral studies of poly (diphenylamine-aminophenol) copolymers using a reactive surfactant Authors: Vetriselvi, V; Devakumar, J; Rathnakumari, R Jeevi Esther; Vanmathi, M Abstract: Poly (para-diphenylamine-co-ortho-aminophenol) copolymers have been synthesized through oxidative polymerization with sodium dodecylsulphate as the emulsifying agent. The synthesized copolymer has been characterized using UV-Visible spectroscopy, FT-IR, XRD, SEM and TG-DTA and DSC. The UV-Vis shows the peak at 273 nm due to the π →π* transition which is related to the extent of conjugation between the adjacent phenylene rings in the polymeric chain. A broad peak that shows in the area of 3850 cm−1 is due to hydrogen-bonded –OH and –NH 2 groups. Two main peaks between 1564 and 1484 cm−1 refer to the ring stretching vibrations of the quinoid and benzenoid rings, respectively. The XRD studies confirm the polymer has semicrystalline nature. The SEM analysis of the copolymer exhibits cluster like arrangement on the rough surfaces and wide dispersion, without any regularity in shape. The TGA illustrate there exists three stages of weight loss. The polymer is found to be thermally stable till 518°C with the residual mass of 0.48%. The fluorescence spectroscopy data shows that synchronous scanning for both excitation and emission peaks at 399 nm. Page(s): 38-42 2025-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/65238 Title: Synthesis, spectral characterization, DFT calculations and investigation of anticancer properties of carbothioamide and metal (FeII and CrIII) complexes Authors: Güney, Elif; Sayin, Koray; Gezegen, Hayreddin Abstract: Schiff base and its metal complexes have a broad application in areas such as medicine, pharmacy, cosmetics, agriculture, plastic industry, dyestuff production, etc. Recently, the anticancer activities of these compounds have been investigated, and it is a matter of curiosity how the effectiveness changes with complexation. 2-(1-(2-Hydroxyphenyl) ethylidene) hydrazine-1- carbotioamide (HL) and its metal (FeII and CrIII) complexes have been synthesized and investigated computationally and experimentally. In the calculations, B3LYP-D3/6-31+G(d) for HL and B3LYP-D3/6-31+G(d)(LANL2DZ) for metal complexes have been used. Anticancer properties of these complexes have been investigated against three different cell lines which are breast cancer (MCF-7), colorectal cancer (HT-29) and gastric cancer (SNU-16). XTT test has been used in the cell viability assays. It is found that the studied compounds are active against breast cancer and Fe(II) complex has shown the best activity. Structural properties of compound have been examined computationally and experimentally. Electronic properties of the studied compounds (for HL) have been investigated by Hirshfeld surface analyses and MEP maps. Anticancer properties of studied compounds have been investigated by cell viability assays. It is found that synthesized compounds are only active against breast cell line, MCF-7. The best compound is found as [FeL2] due to the fact that its IC50 has been calculated as 1.62 μM. Page(s): 43-53 2025-01-01T00:00:00Z