Fluorescent and phosphorescent nitrogen-containing heterocycles and crown ethers: biological and pharmaceutical applications

F Ullah, S Ullah, MFA Khan, M Mustaqeem… - Molecules, 2022 - mdpi.com
Fluorescent molecules absorb photons of specific wavelengths and emit a longer
wavelength photon within nanoseconds. Recently, fluorescent materials have been widely …

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

ASM Al‐Janabi, MM Kadhim… - Applied …, 2021 - Wiley Online Library
Mixed ligand complexes of Zn (II) and Pd (II) have been prepared from piperidine
dithiocarbamate (PipDT) and amine ligand {2, 2′‐bipyridine (Bipy), 1, 10‐phenanthroline …

Synthesis, structural characterization and optical nonlinear properties of two azo-β-diketones

AM Dhumad, QMA Hassan, T Fahad… - Journal of Molecular …, 2021 - Elsevier
Synthesis, structural characterization and Density Functional Theory (DFT) studies of two
azo-β-diketones,(3-((4-bromophenyl) diazenyl) pentane-2, 4‑dione and 2-((4-bromophenyl) …

Inhibition of SARS-CoV-2 reproduction using Boswellia carterii: A theoretical study

MM Kadhim, AW Salman, AM Zarzoor… - Journal of Molecular …, 2021 - Elsevier
This study investigated the possibility of inhibition of the SARS-CoV-2 virus using the
compounds alpha-Boswellic acid (ABA) and beta-Boswellic acid (BBA) which are active …

Novel azo pyridone dyes based on dihydropyrimidinone skeleton: Synthesis, DFT study and anticancer activity

JD Tadić, JM Lađarević, ŽJ Vitnik, VD Vitnik… - Dyes and …, 2021 - Elsevier
Seven novel azo dyes with 2-pyridone and dihydropyrimidinone moieties have been
synthesized and thoroughly characterized. The azo-hydrazone tautomerism has been …

[HTML][HTML] Molecular docking, drug-likeness and DFT study of some modified tetrahydrocurcumins as potential anticancer agents

A Mahal, M Al-Janabi, V Eyüpoğlu, A Alkhouri… - Saudi Pharmaceutical …, 2024 - Elsevier
The present study utilized molecular docking and density functional theory (DFT)
approaches, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) …

PEPPSI type complexes: Synthesis, x-ray structures, spectral studies, molecular docking and theoretical investigations

G Serdaroğlu, N Şahin, E Üstün, MN Tahir, C Arıcı… - Polyhedron, 2021 - Elsevier
In this work, three novel potent benzimidazolium-derived PEPPSI type palladium complexes,
namely dichloro [1-allyl-3-benzylbenzimidazole-2-ylidene] pyridine palladium (II)(1) …

On the influence of hydrocarbons solvents on the inhibition efficiency of some organic corrosion inhibitors: Theoretical and validation studies

MM Kadhim, AA Khadom, AM Rheima… - Journal of Molecular …, 2023 - Elsevier
Injecting inhibitors into industrial equipment and pi** systems is an effective way to control
corrosion. Before application of corrosion inhibitors on an industrial scale, small scale …

Water mediated synthesis of 6-amino-5-cyano-2-oxo-N-(pyridin-2-yl)-4-(p-tolyl)-2H-[1, 2′-bipyridine]-3-carboxamide and 6-amino-5-cyano-4-(4-fluorophenyl)-2-oxo …

R Jayarajan, R Satheeshkumar, T Kottha… - … Acta Part A: Molecular …, 2020 - Elsevier
Amino-5-cyano-2-oxo-N-(pyridin-2-yl)-4-(p-tolyl)-2H-[1, 2′-bipyridine]-3-carboxamide and 6-
amino-5-cyano-4-(4-fluorophenyl)-2-oxo-N-(pyridin-2-yl)-2H-[1, 2′-bipyridine]-3 …

Co (II), Ni (II), and Zn (II) complexes of 5‐methyl‐1, 3, 4‐oxadiazol‐2‐amine Schiff base as potential heat shock protein 90 inhibitors: Spectroscopic, biological activity …

AS Al‐Janabi, AFK Al‐Bayati, OA ALtaie… - Applied …, 2022 - Wiley Online Library
Heat shock protein 90 (Hsp90) is a promising target in tumor biology as required for
oncogenic protein kinases. The Hsp90‐alpha N‐domain delineates an ATP binding pocket; …