8-Aminoquinoline derived two Schiff base platforms: Synthesis, characterization, DFT insights, corrosion inhibitor, molecular docking, and pH-dependent antibacterial …

D Majumdar, A Chatterjee, M Feizi-Dehnayebi… - Heliyon, 2024 - cell.com
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 …

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

W Ettahiri, M Adardour, E Ech-chihbi, M Azam… - Colloids and Surfaces A …, 2024 - Elsevier
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 …

[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 …

Surface interactions and improved corrosion resistance of mild steel by addition of new triazolyl-benzimidazolone derivatives in acidic environment

E Ech-Chihbi, M Adardour, W Ettahiri, R Salim… - Journal of Molecular …, 2023 - Elsevier
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 …

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 …

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 …

H Mousavi, B Zeynizadeh, M Rimaz - Bioorganic Chemistry, 2023 - Elsevier
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 …

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 …

Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies

BS Mathada, NJ Basha, M Javeed… - Journal of …, 2024 - Taylor & Francis
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) …

Synthesis, characterization, and electronic structure of bioactive vanillin based fluorescent Schiff bases

ES Aazam, R Thomas - Journal of Molecular Liquids, 2024 - Elsevier
This manuscript presents a comprehensive investigation into the Synthesis, characterization,
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 …

M Azzouzi, Z El Ouafi, O Azougagh, W Daoudi… - Journal of Molecular …, 2023 - Elsevier
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 …