8-Aminoquinoline derived two Schiff base platforms: Synthesis, characterization, DFT insights, corrosion inhibitor, molecular docking, and pH-dependent antibacterial …
The current research divulges the synthesis of two new Schiff base (SB)(L NAPH/L O-VAN)
derived from 8-aminoquinoline (8-AMQ) in the presence of 2-hydroxy naphthaldehyde …
derived from 8-aminoquinoline (8-AMQ) in the presence of 2-hydroxy naphthaldehyde …
[HTML][HTML] Computational investigation of solvent interaction (TD-DFT, MEP, HOMO-LUMO), wavefunction studies and molecular docking studies of 3-(1-(3-(5-((1 …
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, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and …
R Kerkour, O Moumeni, N El houda Rabhi… - Journal of Molecular …, 2024 - Elsevier
A specific α-aminophosphonate molecule, namely diethyl (phenyl (4-pyridinylamino) methyl)
phosphonate (α-DAP), as a potential SARS-CoV-2 inhibitor, has been synthesized via a …
phosphonate (α-DAP), as a potential SARS-CoV-2 inhibitor, has been synthesized via a …
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) …
Experimental and computational study of newly synthesized benzimidazole derivatives as corrosion inhibitors for mild steel in 1.0 M HCl: electrochemical, surface …
Two newly synthesized benzimidazole compounds, 1-(Cyclopent-1-en-1-yl)-3-(prop-2-yn-1-
yl)-1H-benzimidazol-2 (3H)-one (IMD1) and 1-allyl-3-(cyclopent-1-en-1-yl)-1H-benzimidazol …
yl)-1H-benzimidazol-2 (3H)-one (IMD1) and 1-allyl-3-(cyclopent-1-en-1-yl)-1H-benzimidazol …
Synthesis, biological activities, molecular docking, theoretical calculations of some 1, 3, 4-oxadiazoles, 1, 2, 4-triazoles, and 1, 2, 4-triazolo [3, 4-b]-1, 3, 4-thiadiazines …
HEM Tolan, AM Fahim, EHI Ismael - Journal of Molecular Structure, 2023 - Elsevier
In this elucidation, we synthesized different 1, 3, 4-oxadiazoles, 1, 2, 4-triazoles, and 1, 2, 4-
triazolo [3, 4-b]-1, 3, 4-thiadiazine ring system through the reaction of hydrazide derivatives …
triazolo [3, 4-b]-1, 3, 4-thiadiazine ring system through the reaction of hydrazide derivatives …
Green and efficient one-pot three-component synthesis of novel drug-like furo [2, 3-d] pyrimidines as potential active site inhibitors and putative allosteric hotspots …
In this paper, an environmentally benign, convenient, and efficient one-pot three-component
reaction has been developed for the regioselective synthesis of novel 5-aroyl (or …
reaction has been developed for the regioselective synthesis of novel 5-aroyl (or …
Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies
Pyrimidine and its derivatives are associated with varieties of biological properties.
Therefore, we herein reported the synthesis of four novel pyrimidines (2, 3, and 4a, b) …
Therefore, we herein reported the synthesis of four novel pyrimidines (2, 3, and 4a, b) …
[HTML][HTML] Comprehensive assessment of the corrosion inhibition properties of quinazoline derivatives on mild steel in 1.0 M HCl solution: An electrochemical, surface …
The efficacy of two compounds, namely 12-(4-chlorophenyl)-3, 3-dimethyl-3, 4, 5, 12-
tetrahydrobenzo [4, 5] imidazo [2, 1-b] quinazolin-1 (2H)-one (Q-Cl) and 3, 3-dimethyl-12 …
tetrahydrobenzo [4, 5] imidazo [2, 1-b] quinazolin-1 (2H)-one (Q-Cl) and 3, 3-dimethyl-12 …
Synthesis, quantum mechanical studies, physicochemical properties and molecular docking studies of Schiff base NN-(1, 2-Phenylene) Bis (1-(4-Bromophenyl) …
TS Ganesan, N Elangovan, A Sirajunnisa… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Schiff bases have advanced physical, chemical, and medicinal properties, making them
strong biological agents. Comparable FTIR, UV-VIS, 1HNMR, 13CNMR spectra confirmed …
strong biological agents. Comparable FTIR, UV-VIS, 1HNMR, 13CNMR spectra confirmed …