Recent investigations into synthesis and pharmacological activities of phenoxy acetamide and its derivatives (chalcone, indole and quinoline) as possible therapeutic …

FH Al-Ostoot, Zabiulla, S Salah, SA Khanum - Journal of the Iranian …, 2021 - Springer
Medicinal chemistry can rightfully be regarded as a cornerstone in the public health of our
modern society that combines chemistry and pharmacology with the aim of designing and …

Exploring the antibacterial activity of 1, 2 diaminoethane hexanedionic acid by spectroscopic, electronic, ELF, LOL, RDG analysis and molecular docking studies using …

CD Vincy, JDD Tarika, XDD Dexlin, A Rathika… - Journal of Molecular …, 2022 - Elsevier
Diaminoethane hexanedionic acid, selected for its antibacterial property is extensively used
for spectroscopic elucidations and computational aspects using density functional methods …

New organosulfur metallic compounds as potent drugs: synthesis, molecular modeling, spectral, antimicrobial, drug likeness and DFT analysis

AU Hassan, SH Sumrra, MN Zafar, MF Nazar… - Molecular Diversity, 2022 - Springer
During the present investigation, two new sulfonamide-based Schiff base ligands, 4-{[(2-
hydroxy-3-methoxyphenyl) methylidene] amino}-N-(1, 3-thiazol-2-yl) benzene-1-sulfonamid …

DFT-guided structural modeling of end-group acceptors at Y123 core for sensitizers as high-performance organic solar dyes and NLO responses

AU Hassan, SH Sumrra, M Zafar, A Mohyuddin… - Journal of Molecular …, 2023 - Springer
Context The organic solar cells (OSCs) are being developed with the goal of improving their
photovoltaic capabilities. Here, utilizing computational methods, six new nonfullerene …

Tuning the computational evaluation of spectroscopic, ELF, LOL, NCI analysis and molecular docking of novel anti COVID-19 molecule 4-dimethylamino pyridinium 3 …

JDD Tarika, XDD Dexlin, S Madhankumar… - … Acta Part A: Molecular …, 2021 - Elsevier
In this work novel antiviral compound 4-(Dimethylamino) Pyridinium 3, 5-dichlorosalicylate
was synthesized and characterized by UV–vis, FT-IR, FT-Raman, 1 H NMR and 13 C NMR …

DFT, SERS-concentration and solvent dependent and docking studies of a bioactive benzenesulfonamide derivative

YS Mary, YS Mary, M Krátký, J Vinsova… - Journal of Molecular …, 2021 - Elsevier
Spectroscopic analysis, DFT studies and surface enhanced Raman scattering (SERS) of
antimicrobial bioactive 4-[(5-tert-butyl) 2-hydroxybenzylidene] amino-N-(4, 6 …

Adsorption of per-and polyfluoroalkyl substances (PFAS) from water with porous organic polymers

Y Zhang, B Wang, S Ma, Q Zhang - Chemosphere, 2024 - Elsevier
Per-and polyfluoroalkyl substances (PFAS) are man-made environmental contaminants
causing increasing global concern due to their adverse effect on environmental and human …

Identification, in-vitro anti-plasmodial assessment and docking studies of series of tetrahydrobenzothieno [2, 3-d] pyrimidine-acetamide molecular hybrids as potential …

K Pal, MK Raza, J Legac, A Rahman, S Manzoor… - European Journal of …, 2023 - Elsevier
Malaria is the most lethal parasitic infections in the world. To address the emergence of drug
resistance to current antimalarials, here we report the design and synthesis of new series of …

Synthesis, characterization, DNA photocleavage, in silico and in vitro DNA/BSA binding properties of novel hexahydroquinolines

MA Ragheb, RS Omar, MH Soliman… - Journal of Molecular …, 2022 - Elsevier
A simple, and efficient procedure has been developed for the synthesis of novel 2-(4-
(hexahydroquinolin-4-yl) phenoxy)-N-arylacetamides and thieno [3′, 2′: 5, 6] pyrimido [1 …

Recent advancements in Raman instrumentation and capabilities for pharmaceutical and biomedical applications

N Eshbekova, A Sowndarya… - Applied Spectroscopy …, 2024 - Taylor & Francis
Raman spectroscopy (RS) is a nondestructive analytical method extensively utilized in the
field of biomedical, and pharmaceutical applications due to their high sensitivity …