Green synthesis, characterization, anti-cancer and antimicrobial activity of AuNPs extracted from Euphorbia antiquorum stem and flower: Experimental and theoretical …

G Venkatesh, G Serdaroğlu, E Üstün… - Journal of Drug Delivery …, 2024 - Elsevier
Green nanoparticles derived from medicinal plants have attained popularity in recent years.
Gold nanoparticles, with their distinct biological properties, are being investigated. Several …

Molecular structure, vibrational spectral, electron density analysis on linaloe oil and molecular docking efficacy against the therapeutic target on human …

CU Maheswari - Heliyon, 2024 - cell.com
Natural traditional medicine extensively uses certain terpenes and gives plants their flavor,
aroma, and color. Treatments for bacterial infections, malaria, and cardiovascular disorders …

[HTML][HTML] QM, Fukui function, molecular docking, molecular dynamics investigation on Human Estrogen Receptor (HER) with Clioquinol

CU Maheswari - Chemical Physics Impact, 2024 - Elsevier
Clioquinol is an antifungal medication that is used to treat skin diseases such as dermatitis,
foot inflammation, sports itch, and ringworm The electron localization and delocalization …

Revealing patterns in Be12O12-metal nanocages as a nitrosourea drug delivery system: DFT, SERS, solvent effects and the role of periods and groups

JS Al-Otaibi, FS Alamro, AH Almugrin, YS Mary… - Computational and …, 2024 - Elsevier
The use of targeted drugs has emphasized the potential of nanomaterials as carriers for
decreasing therapeutic side effects, and cancer therapy has long been an area of study. In …

Synthesis, experimental and theoretical spectra, electronic and medicinal properties of 3-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-ethoxy-4H-1, 2, 4-triazole

MBA Titlin, TR Beena, M Nikpassand, F Akman… - Journal of Molecular …, 2025 - Elsevier
Abstract In this work, 3-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-ethoxy-4H-1, 2, 4-
triazole compound has been synthesized and experimentally (FT-IR and 1H and 13Csingle …

FT-IR, UV–Vis, density functional theory and molecular docking studies on 3, 7, 11, 15-Tetramethyl-2hexadecen-1-ol

S Kayashrini, P Rajesh, E Dhanalakshmi… - Journal of Molecular …, 2025 - Elsevier
Abstract The organic molecule of 3, 7, 11, 15-Tetramethyl-2-hexadecen-1-ol is frequently
present in plant chlorophyll pigment. The title compound possesses antimicrobial …

A highly substituted isoquinolinethione: Synthesis, crystal structure, DFT analysis and molecular docking studies against a series of the SARS-CoV-2 proteins

Y El Bakri, DA Safin, SK Mohamed, IS Marae… - Journal of Molecular …, 2025 - Elsevier
In this work, we report on a highly substituted isoquinolinethione, namely 7-acetyl-8-(4-
chlorophenyl)-4-cyano-1, 6-dimethyl-2, 3, 7, 8-tetrahydro-3 (2H)-isoquinolinethione acetic …

Synthesis, antiproliferative, antibacterial activity of acridone derivatives: Experimental and theoretical calculations

P Durairaju, G Venkatesh, A Pradhiksha… - Journal of Molecular …, 2024 - Elsevier
Abstract A new ethyl 5-(2-(9-oxoacridin-10 (9H)-yl) acetamido) thiophene-2-carboxylate
(EATPC) and ethyl 2-(2-(9-oxoacridin-10 (9H)-yl) acetamido) thiazole-5-carboxylate …

[HTML][HTML] Hirshfeld surface, fukui function, molecular docking, molecular dynamics investigation on human immunodeficiency virus-1 (HIV) organism with 2, 6-dibromo …

UM Chandramohan, D Joseph - Results in Chemistry, 2024 - Elsevier
Dibromo-4-chloroaniline is a planar molecule. Functional analysis based on vibrational
modes is made clearer by spectral analysis. Quantum chemical calculation are …

Green synthesis, characterization, antimicrobial and anti-cancer activity of silver nanoparticles using Aristolochia bracteolate plant leaf extract: experimental and …

P Durairaju, G Raja, G Venkatesh… - Bulletin of the Chemical …, 2025 - ajol.info
Silver nanoparticles were synthesized using Aristolochia bracteolate plant extracts. The
nanoparticles were subsequently studied using various techniques such as UV-Vis, FTIR …