Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1, 2-bis …
R Subramaniyan, R Ramarajan, A Ramalingam… - Journal of Molecular …, 2023 - Elsevier
The aim of this research is to synthesize symmetric azine using microwave irradiation. The
symmetrical azine, 1, 2-bis (4-methoxybenzylidene) hydrazine (abbreviated as B4MbH) was …
symmetrical azine, 1, 2-bis (4-methoxybenzylidene) hydrazine (abbreviated as B4MbH) was …
Experimental and theoretical study of the sulfamic acid-urea deep eutectic solvent
AS Kazachenko, N Issaoui, M Medimagh… - Journal of Molecular …, 2022 - Elsevier
A sulfamic acid-urea mixture deep eutectic solvent has been intensively investigated in the
last few years as an agent for sulfating natural substances alternative to toxic complexes of …
last few years as an agent for sulfating natural substances alternative to toxic complexes of …
Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6 …
A Ramalingam, M Kuppusamy, S Sambandam… - Heliyon, 2022 - cell.com
Abstract Isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …
Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2, 6-bis (4-fluorophenyl) piperidin-4-one: a …
A Ramalingam, AR Guerroudj, S Sambandam… - Journal of Molecular …, 2022 - Elsevier
This study included experimental analysis, FT-Raman, FT-IR, UV-Vis and NMR with
theoretical investigations of 3-(2-chloroethyl)-2, 6-bis (p-fluorophenyl) piperidin-4-one …
theoretical investigations of 3-(2-chloroethyl)-2, 6-bis (p-fluorophenyl) piperidin-4-one …
Synthesis, molecular docking of 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses
A Kumar, S Sambandam, A Ramalingam… - Journal of Molecular …, 2022 - Elsevier
Abstract In this work, 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one (CEDP) was
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …
Conformation and vibrational spectroscopic analysis of 2, 6-bis (4-fluorophenyl)-3, 3-dimethylpiperidin-4-one (BFDP) by DFT method: A potent anti-Parkinson's, anti …
Abstract The potential of 2, 6-bis (4-fluorophenyl)-3, 3-dimethylpiperidin-4-one (BFDP) as an
anti-Parkinson's, anti-lung cancer, and anti-human infectious agent was extensively …
anti-Parkinson's, anti-lung cancer, and anti-human infectious agent was extensively …
[HTML][HTML] Catalytic multicomponent synthesis, biological evaluation, molecular docking and in silico ADMET studies of some novel 3-alkyl indoles
R Ramarajan, A Ramalingam, C Duraisamy… - Journal of King Saud …, 2023 - Elsevier
A series of novel 3-alkylated indoles were synthesized in good yields under mild reaction
conditions using inexpensive, readily available, and environmentally benign glycolic acid …
conditions using inexpensive, readily available, and environmentally benign glycolic acid …
Study of new carbonitrile as an anti-muscular dystrophy agent: crystal, vibrational spectroscopy, molecular docking, electronic and intermolecular interaction …
A Ramalingam, C Duraisamy, H Louis… - Journal of Molecular …, 2024 - Elsevier
Muscular dystrophy, a genetically induced and highly lethal disease, necessitates urgent
curative solutions. Many therapeutic drugs for this condition incorporate heterocyclic …
curative solutions. Many therapeutic drugs for this condition incorporate heterocyclic …
Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): a potent …
A Ramalingam, S Sambandam, H Louis… - Journal of Molecular …, 2023 - Elsevier
In this present study, the possibility of using 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
Structural, spectral, DFT and Z-scan analysis of (E)-4-fluoro-N′(3, 4, 5-trimethoxybenzylidene) benzohydrazide for optoelectronics applications
P Sangeetha, B Diravidamani, A Dhandapani… - Optik, 2022 - Elsevier
Objective To synthesis a new Schiff base material (E)-4-fluoro-N′-(3, 4, 5-
trimethoxybenzylidene) benzohydrazide (FBBH) by a slow evaporation method for nonlinear …
trimethoxybenzylidene) benzohydrazide (FBBH) by a slow evaporation method for nonlinear …