NOPR Collection:http://nopr.niscpr.res.in/handle/123456789/666202026-10-10T05:15:35Z2026-10-10T05:15:35ZSynthesis and evaluation of isatin-N-1,2,3-triazoles analogues for in vitro anticancer, α-glucosidase inhibition properties via molecular hybridization approachNiranjana Kumara, AKotesh Kumar, JV N S Srinivas, KChindeb, SrinivasKumar Domattic, AnandKumar, YogeshGrover, ParamjitTiwari, AshokKhan, Ferozhttp://nopr.niscpr.res.in/handle/123456789/666302025-10-22T11:11:16Z2025-10-01T00:00:00ZTitle: Synthesis and evaluation of isatin-N-1,2,3-triazoles analogues for in vitro anticancer, α-glucosidase inhibition properties via molecular hybridization approach
Authors: Niranjana Kumara, A; Kotesh Kumar, J; V N S Srinivas, K; Chindeb, Srinivas; Kumar Domattic, Anand; Kumar, Yogesh; Grover, Paramjit; Tiwari, Ashok; Khan, Feroz
Abstract: The anticancer, α-glucosidase inhibition profiles of isatin-1,2,3-triazole conjugates (9 Nos) are reported here. The
compounds 3a (IC50 6.52±0.04), 3b (IC50 2.78±0.04 μM), 3d (IC50 7.09±0.037 μM) and 3h (2.25±0.04 μM) have shown
more potent anti-cancer activity against HeLa and HepG2 cell lines respectively compared to the standard Doxorubicin (IC50
9.03±0.07 and 10.15±0.003 respectively). While, compound 3e potentially inhibits α-glucosidase enzyme (47.4%) when
compared to the standard Acarbose (56.0%), compound 3f has shown potent lipase inhibition activity (80.8%) when
compared to the standard Orlistat (91.1%). In in silico studies, the docking of derivatives with the respecting anticancer,
AGH and lipase targets have revealed their potential binding affinities. Also the plot of PSA vs ALogP has revealed the
compounds with favorable physicochemical properties for CNS drug development or oral delivery
Page(s): 933-9412025-10-01T00:00:00ZSynthesis of bioactive aryl anilides using solid acidic FeCl3-Bentonite catalyst: DFT analysis, molecular docking and ADMET property evaluationMuthuvel, IDivyaa, JGayathria, PBalasundaria, SSudhaa, PPalanivelc, CKrishnakumar, BManikandanf, VK Alanazig, AbdullahThirunarayanan, Ghttp://nopr.niscpr.res.in/handle/123456789/666292025-10-22T11:06:19Z2025-10-01T00:00:00ZTitle: Synthesis of bioactive aryl anilides using solid acidic FeCl3-Bentonite catalyst: DFT analysis, molecular docking and ADMET property evaluation
Authors: Muthuvel, I; Divyaa, J; Gayathria, P; Balasundaria, S; Sudhaa, P; Palanivelc, C; Krishnakumar, B; Manikandanf, V; K Alanazig, Abdullah; Thirunarayanan, G
Abstract: Two anilide derivatives have been synthesized with more than 85% yield using FeCl3-bentonite acidic catalyst-supported
rearrangement of their oximes. These anilides have been investigated by their physico-chemical constants and spectroscopic
data. The effect of various acidic catalysts and solvents on the rearrangement has been studied. The DFT analysis, molecular
docking, ADMET properties, and antimicrobial activities of these anilides have been assessed with corresponding ligand
protein interaction nature and microbes
Page(s): 942-9522025-10-01T00:00:00ZStructural and thermal insights into one-step synthesized phosphate-based Mn–pyrazole–oxyhydroxide nanocompositesPriyadarshini, SushreeSankhar Brahmab, GouriNayak, Supravahttp://nopr.niscpr.res.in/handle/123456789/666282025-10-22T10:58:50Z2025-10-01T00:00:00ZTitle: Structural and thermal insights into one-step synthesized phosphate-based Mn–pyrazole–oxyhydroxide nanocomposites
Authors: Priyadarshini, Sushree; Sankhar Brahmab, Gouri; Nayak, Suprava
Abstract: With the industrial sector accounting for 42% of India’s total electricity consumption, there is a pressing need to develop
energy-responsive materials that can enhance furnace efficiency and reduce overall energy usage. The present study reports
the synthesis of a novel Mn–pyrazole–oxyhydroxide nanocomposite designed to combine the redox activity and thermal
stability of manganese, the strong coordination ability and heat resistance of pyrazole, and the high thermal conductivity of
manganese oxyhydroxide. The composite has been synthesized via a simple one-step precipitation method. Following the
precipitation, the resulting material is filtered and subjected to two different drying conditions: one at an elevated
temperature of 80–90°C, referred to as the calcined material (SS-1), with the composition [Mn₂(μ-C₃H₄N₂)(OH)₄(μ-
HPO₄)₂·(NaHPO₄)₂]·(Mn-O-OH)·2H₂O; and the other at room temperature, referred to as the non-calcined material (SS-2),
with the composition Mn(C₃H₄N₂)(HPO₄)(OH)₄·(MnHPO₄)·(Mn-O-OH)₂·(NaH₂PO₄)₂·2.5H₂O. Their compositions have
been confirmed through ICP-OES, CHNS, and TGA analyses. Powder X-ray diffraction (PXRD) has been performed to
determine the crystallite sizes, revealing an average of 83.5 nm for SS-1 and a comparatively smaller size of 60.8 nm for SS-
2. FTIR and TGA analyses verified the presence of various atomic binding modes and distinct molecular components, while
UV-Vis-NIR spectroscopy provide insights into their band gaps and refractive indices. SS-1 exhibits a band gap of 1.46 eV
with a refractive index of 2.84, whereas SS-2 shows a lower band gap of 0.50 eV and a higher refractive index of 3.71.
Importantly, DSC analysis reveals low specific heat capacities for both composites, 0.148 J/g·K for SS-1 and 0.167 J/g·K
for SS-2. These low specific heat values classify them as low thermal inertia materials. Consequently, both SS-1 and SS-2
demonstrate strong potential as energy-responsive thermal coatings.
Page(s): 953-9612025-10-01T00:00:00ZFacile synthesis of highly functionalized aromatic novel 3-(2,4-substituted diaryl- 2H-chromen-3-yl)-5-phenylisoxazole derivativesGutam, MadhuKumar Konda, SantoshReddy Vadiyala, NaveenThalari, GangadharRao Yerrabelli, JayaprakashRao Chitneni, Prasadhttp://nopr.niscpr.res.in/handle/123456789/666252025-10-22T09:04:28Z2025-10-01T00:00:00ZTitle: Facile synthesis of highly functionalized aromatic novel 3-(2,4-substituted diaryl- 2H-chromen-3-yl)-5-phenylisoxazole derivatives
Authors: Gutam, Madhu; Kumar Konda, Santosh; Reddy Vadiyala, Naveen; Thalari, Gangadhar; Rao Yerrabelli, Jayaprakash; Rao Chitneni, Prasad
Abstract: An efficient approach has been described for the synthesis of substituted diaryl aromatic flava none-isoxazole (7a-m)
hybrids through simple and practical methodology. The synthetic strategy involves formation of substituted diaryl flavanone
aldoxime intermediates (5a-k) from substituted flavanone -3- aldehydes (4a-k). This is followed by [3+2] cycloaddition of
in situ generated nitrile oxides with aryl acetylenes using sodium hypochlorite oxidant in THF in absence of light, to furnish
the functionalized isoxazoles with excellent yields (85-90%).
Page(s): 962-9652025-10-01T00:00:00Z