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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 …
1, 2, 3-triazolyl-linked benzimidazolone derivatives as new eco-friendly corrosion inhibitors for mild steel in 1 M HCl solution: experimental and computational studies
Abstract Three heterocyclic derivatives of 1, 2, 3-triazolyl-linked benzimidazolone, named Ph-
TLB, OCH 3 Ph-TLB, and NO 2 Ph-TLB, were studied for their ability to inhibit corrosion of …
TLB, OCH 3 Ph-TLB, and NO 2 Ph-TLB, were studied for their ability to inhibit corrosion of …
[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 …
Surface interactions and improved corrosion resistance of mild steel by addition of new triazolyl-benzimidazolone derivatives in acidic environment
Three triazolyl-benzimidazolone derivatives, namely TB-CH 2 Ph, TB-NO 2 Ph & TB-Ph,
were evaluated for their corrosion protection potential on mild steel (MS) in 1 M HCl. Various …
were evaluated for their corrosion protection potential on mild steel (MS) in 1 M HCl. Various …
Synthesis, solvent role, absorption and emission studies of cytosine derivative
N Elangovan, N Arumugam, AI Almansour, S Mathew… - Heliyon, 2024 - cell.com
Abstract The (E)-4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino) pyrimidin-2 (1H)-one
(C5NV) was synthesized from cytosine and 5-nitrovanilline by simple straightforward …
(C5NV) was synthesized from cytosine and 5-nitrovanilline by simple straightforward …
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 …
Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and …
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 …
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) …
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) …
Design, synthesis, and computational studies of novel imidazo [1, 2-a] pyrimidine derivatives as potential dual inhibitors of hACE2 and spike protein for blocking SARS …
In the present work, a new series of imidazo [1, 2-a] pyrimidine Schiff base derivatives have
been obtained using an easy and conventional synthetic route. The synthesized compounds …
been obtained using an easy and conventional synthetic route. The synthesized compounds …