Spectroscopic, Computational (DFT), Quantum mechanical studies and protein-ligand interaction of Schiff base 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis …
TS Ganesan, N Elangovan, V Vanmathi… - Journal of the Indian …, 2022 - Elsevier
Abstract Infrared, 1 HNMR, 13 CNMR, and VU-Visible spectroscopy have been used to
characterize the novel 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) …
characterize the novel 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) …
[HTML][HTML] Computational investigation of solvent interaction (TD-DFT, MEP, HOMO-LUMO), wavefunction studies and molecular docking studies of 3-(1-(3-(5-((1 …
S Kanchana, T Kaviya, P Rajkumar, MD Kumar… - Chemical Physics …, 2023 - Elsevier
Initially, we have done the conformational analysis, total of 564 confirmations were
available, we noted highest energy value is 56.499 and the ring energy is 67.982. After …
available, we noted highest energy value is 56.499 and the ring energy is 67.982. After …
Synthesis, structural, spectral, computational, docking and biological activities of Schiff base (E)-4-bromo-2-hydroxybenzylidene) amino)-N-(pyrimidin-2-yl) …
A Kanagavalli, R Jayachitra, G Thilagavathi… - Journal of the Indian …, 2023 - Elsevier
The newly synthesized, characterized, and theoretically investigated Schiff base compound
(E)-4-bromo-2-hydroxybenzylidene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide …
(E)-4-bromo-2-hydroxybenzylidene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide …
Synthesis, Computational, Electronic spectra, and molecular docking studies of 4-((diphenylmethylene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide
R Jayachitra, G Thilagavathi, A Kanagavalli… - Journal of the Indian …, 2023 - Elsevier
Abstract The 4-((diphenylmethylene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide
(BENDA) was synthesized and characterized by the Infrared, UV-Visible, and NMR analysis …
(BENDA) was synthesized and characterized by the Infrared, UV-Visible, and NMR analysis …
Fluorescent azomethine by the condensation of sulfadiazine and 4-chlorobenzaldehyde in solution: synthesis, characterization, solvent interactions, electronic …
N Elangovan, S Sowrirajan, AYA Alzahrani… - Polycyclic Aromatic …, 2024 - Taylor & Francis
The Schiff base was synthesized and characterized with Infrared, Raman, UV, fluorescence,
and NMR studies. The present work is theoretically investigated using DFT/WB97XD/cc …
and NMR studies. The present work is theoretically investigated using DFT/WB97XD/cc …
Synthesis, XRD, Hirshfeld surface analysis, DFT studies, cytotoxicity and anticancer activity of di (m-chlorobenzyl)(dichloro)(4, 7-diphenyl-1, 10-phenanthroline) tin (IV) …
C Bhaskar, N Elangovan, S Sowrirajan… - Journal of Molecular …, 2022 - Elsevier
The complex di (m-chlorobenzyl)(dichloro)(4, 7-diphenyl-1, 10-phenanthroline) tin (IV)
complex (B2) was synthesized and characterized by FT-IR, FT-Raman, 1 H NMR, 13 C …
complex (B2) was synthesized and characterized by FT-IR, FT-Raman, 1 H NMR, 13 C …
Synthesis, electronic structure, UV–vis, wave function, and molecular docking studies of Schiff base (Z)-N-(thiazol-2-yl)-4-((thiophene-2-ylmethylene) amino) …
A Kanagavalli, G Thilagavathi… - Polycyclic Aromatic …, 2023 - Taylor & Francis
Abstract The (Z)-N-(thiazol-2-yl)-4-((thiophene-2-ylmethylene) amino) benzenesulfonamide
(TH2TH) were synthesized. The geometry was optimized by density functional theory (DFT) …
(TH2TH) were synthesized. The geometry was optimized by density functional theory (DFT) …
Synthesis, computational, molecular docking studies and photophysical properties of (Z)-N-(pyrimidin-2-yl)-4-(thiophen-2-ylmethylene) amino) benzenesulfonamide
G Thilagavathi, R Jayachitra, A Kanagavalli… - Journal of the Indian …, 2023 - Elsevier
Abstract The (Z)-N-(pyrimidin-2-yl)-4-(thiophen-2-ylmethylene) amino) benzenesulfonamide
(TH2DA) were synthesized and characterized by the Infrared, UV–Visible, and NMR …
(TH2DA) were synthesized and characterized by the Infrared, UV–Visible, and NMR …
Rational design of novel pyridine-based drugs candidates for lymphoma therapy
Research efforts to develop an effective drug for lymphoma with minimal side effects are still
very slow. To aid the discovery of new lymphoma drug, we led an extensive in silico …
very slow. To aid the discovery of new lymphoma drug, we led an extensive in silico …
Synthesis, characterization, DFT, biological activity evaluation, and molecular docking analysis of new 8-[(2-hydroxynaphthalen-1-yl) diazenyl] naphthalene-1, 3 …
Three novel metal complexes of 2‑hydroxy-1-naphthaldehyde azine (HNANSA) with iron
(III), nickel (II), and copper (II) have been synthesized and characterized. Various analytical …
(III), nickel (II), and copper (II) have been synthesized and characterized. Various analytical …