Antimicrobial activity of natural and semi-synthetic carbazole alkaloids
YY Ding, H Zhou, BQ Zhang, ZJ Zhang… - European Journal of …, 2023 - Elsevier
Since the first natural carbazole alkaloid, murrayanine, was isolated from Mwraya Spreng,
carbazole alkaloid derivatives have been widely concerned for their anti-tumor, anti-viral …
carbazole alkaloid derivatives have been widely concerned for their anti-tumor, anti-viral …
[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, solvent role (water and DMSO), antimicrobial activity, reactivity analysis, inter and intramolecular charge transfer, topology, and molecular docking studies …
N Elangovan, S Sowrirajan, N Arumugam… - Journal of Molecular …, 2023 - Elsevier
In the current study, a molecule (E)-3-(((9H-purin-6-yl) imino) methyl) phenol (A3H) was
made and its structure was characterized through the application of spectroscopic …
made and its structure was characterized through the application of spectroscopic …
Corrosion protection studies of different alloys in 1 M HCl by benzimidazole derivative: combined molecular dynamic simulations/DFT
N Arrousse, Y Fernine, R Haldhar… - Journal of …, 2023 - Elsevier
Corrosion prevention of metals like Steel, Aluminum, and Copper is an interesting problem
in industries, to solve this problem corrosion inhibitors are one of the most effective …
in industries, to solve this problem corrosion inhibitors are one of the most effective …
Synthesis, characterization, and electronic structure of bioactive vanillin based fluorescent Schiff bases
This manuscript presents a comprehensive investigation into the Synthesis, characterization,
and molecular properties of a novel compound,(E)-2-methoxy-4-((phenylimino) methyl) …
and molecular properties of a novel compound,(E)-2-methoxy-4-((phenylimino) methyl) …
Non-covalent interaction, biological activity prediction, topology and molecular docking studies on adenine derivative
DR Durai, N Elangovan, S Sowrirajan… - Journal of Molecular …, 2024 - Elsevier
Abstract The schiff base 4-(((9H-purin-6-yl) imino) methyl)-2‑methoxy-6-nitrophenol (A5NV)
was synthesized and characterized by FTIR, UV, 1 H 13 C–NMR spectral analysis. The …
was synthesized and characterized by FTIR, UV, 1 H 13 C–NMR spectral analysis. The …
Investigation of molecular structure, topological and molecular docking studies of a novel anticancer drug pacritinib
N Elangovan, AY Alzahrani, G Ajithkumar… - Polycyclic Aromatic …, 2023 - Taylor & Francis
Abstract The B3LYP/cc-pVDZ basis set was used to optimize the best results of Pacritinib
whose systematic name is (E)-44-(2-(pyrrolidin-1-yl) ethoxy)− 6, 11-dioxa-3-aza-2 (4, 2) …
whose systematic name is (E)-44-(2-(pyrrolidin-1-yl) ethoxy)− 6, 11-dioxa-3-aza-2 (4, 2) …
Crystal structure, Hirshfeld analysis and computational study on tin (IV) complex: insights from synthesis, spectroscopic, anticancer activity and molecular docking …
KP Manoj, N Elangovan, S Sowrirajan… - Journal of Molecular …, 2024 - Elsevier
A new class of tin (IV) complex (M1) was synthesized from 1, 10-phenenthroline and di (o-
chlorobenzyl) tin dichloride in good yield. The synthesized complex was assigned by 1 H …
chlorobenzyl) tin dichloride in good yield. The synthesized complex was assigned by 1 H …
Synthesis, characterization, antibacterial, antifungal and anticorrosion activities of 1, 2, 4-triazolo [1, 5-a] quinazolinone
The synthesis of 5, 6, 7, 8-tetrahydro-[1, 2, 4] triazolo [5, 1-b] quinazolin-9 (4H)-one (THTQ),
a potentially biologically active compound, was pursued, and its structure was determined …
a potentially biologically active compound, was pursued, and its structure was determined …
[HTML][HTML] Solid state synthesis of a fluorescent Schiff base (E)-1-(perfluorophenyl)-N-(o-toly) methanimine followed by computational, quantum mechanical and …
The compound was synthesized and characterized with Infrared, UV, and NMR studies. The
present work is theoretically investigated using WB97XD/aug-cc-pVTZ basis set. The DFT …
present work is theoretically investigated using WB97XD/aug-cc-pVTZ basis set. The DFT …