Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
[HTML][HTML] A review on synthetic account of 1, 2, 4-oxadiazoles as anti-infective agents
TM Dhameliya, SJ Chudasma, TM Patel, BP Dave - Molecular Diversity, 2022 - Springer
Most of the currently marketed drugs consist of heterocyclic scaffolds containing nitrogen
and or oxygen as heteroatoms in their structures. Several research groups have synthesized …
and or oxygen as heteroatoms in their structures. Several research groups have synthesized …
Synthesis, characterization, vibrational analysis and computational studies of a new Schiff base from pentafluoro benzaldehyde and sulfanilamide
OAA Ali, N Elangovan, SF Mahmoud… - Journal of Molecular …, 2022 - Elsevier
This work presents the characterization of (E)-4-(((perfluorophenyl) methylene) amino)
benzenesulfonamide (PFNI) by spectral techniques and quantum chemical calculations. The …
benzenesulfonamide (PFNI) by spectral techniques and quantum chemical calculations. The …
Synthesis, spectral analysis, antibacterial activity, quantum chemical studies and supporting molecular docking of Schiff base (E)-4-((4-bromobenzylidene) amino) …
R Muthukumar, M Karnan, N Elangovan… - Journal of the Indian …, 2022 - Elsevier
A new Schiff base (E)-4-((4-bromobenzylidene) amino) benzenesulfonamide (M2) was
synthesized by the reaction between 4-bromobenzaldehyde and sulfanilamide followed by …
synthesized by the reaction between 4-bromobenzaldehyde and sulfanilamide followed by …
Synthesis, spectral, structural features, electronic properties, biological activities, computational, wave function properties, and molecular docking studies of (E)-4 …
S Sowrirajan, N Elangovan, G Ajithkumar… - Journal of Molecular …, 2022 - Elsevier
Abstract Infrared, Raman, 1HNMR, 13CNMR, and VU-Visible spectroscopy have been used
to characterize the newly synthesized compound (E)-4-((perfluorophenyl) methylene) …
to characterize the newly synthesized compound (E)-4-((perfluorophenyl) methylene) …
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)) …
Synthesis, structural, DFT, quantum chemical modeling and molecular docking studies of (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzenesulfonamide from 5 …
J Geethapriya, A Shanthidevi, M Arivazhagan… - Journal of the Indian …, 2022 - Elsevier
Abstract Schiff base (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzene sulfonamide
(5M2FNI) compound was synthesized with coordination of 5-methyl-2-furaldehyde and …
(5M2FNI) compound was synthesized with coordination of 5-methyl-2-furaldehyde and …
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 …
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 …