Antispasmodic activity of carnosic acid extracted from rosmarinus officinalis: Isolation, spectroscopic characterization, DFT studies, and in silico molecular docking …

K Wei, H Louis, W Emori, PS Idante… - Journal of Molecular …, 2022 - Elsevier
This research work focuses on the isolation, spectroscopic characterization (FT-IR, UV–vis,
and NMR), density functional theory (DFT) studies, and the potential application of carnosic …

Biologically active compounds from two members of the Asteraceae family: Tragopogon dubius Scop. and Tussilago farfara L.

S Uysal, I Senkardes, A Mollica, G Zengin… - Journal of …, 2018 - Taylor & Francis
Tragopogon dubius and Tussilago farfara are consumed as vegetables and used in folk
medicine to manage common diseases. Herein, the chemical compositions and biological …

Investigation on the molecular, electronic and spectroscopic properties of rosmarinic acid: an intuition from an experimental and computational perspective

EA Eno, CR Cheng, H Louis, TE Gber… - Journal of …, 2023 - Taylor & Francis
Various drugs such as corticosteroids, salbutamol, and β2 agonist are available for the
treatment of asthma an inflammatory disease and its symptoms, although the ingredient and …

[HTML][HTML] Synthesis, molecular docking, and biological evaluation of novel anthranilic acid hybrid and its diamides as antispasmodics

M Milusheva, V Gledacheva, I Stefanova… - International Journal of …, 2023 - mdpi.com
The present article focuses on the synthesis and biological evaluation of a novel anthranilic
acid hybrid and its diamides as antispasmodics. Methods: Due to the predicted in silico …

Vibrational and electronic spectral analysis of thymol an isomer of carvacrol isolated from Trachyspermum ammi seed: A combined experimental and theoretical study

P Rajkumar, S Selvaraj, R Suganya… - Chemical Data …, 2018 - Elsevier
Phytochemical study of a natural product, Thymol an antiseptic drug was isolated from the
seeds of Trachyspermum Ammi. The structure of thymol was established using …

Vibrational spectroscopic characterization and structural investigations of Cepharanthine, a natural alkaloid

S Celik, S Akyuz, AE Ozel - Journal of Molecular Structure, 2022 - Elsevier
Cepharanthine, a natural alkaloid obtained from the Stephania cepharantha Hayata plant,
that has antitumor, anti-inflammatory, antioxidative, antiparasitic, and antiviral properties …

Isolation, identification and molecular docking as cyclooxygenase (COX) inhibitors of the main constituents of Matricaria chamomilla L. extract and its synergistic …

MI Ortiz, E Fernández-Martínez, LE Soria-Jasso… - Biomedicine & …, 2016 - Elsevier
Abstract Chamomile (Matricaria chamomilla L., Asteraceae) is a medicinal plant widely used
as remedy for pain and gastric disorders. The association of non-steroidal anti-inflammatory …

Exploration of interaction mechanism of tyrosol as a potent anti-inflammatory agent

TC Yadav, N Kumar, U Raj, N Goel… - Journal of …, 2019 - Taylor & Francis
Drug discovery for a vigorous and feasible lead candidate is a challenging scientific mission
as it requires expertise, experience, and huge investment. Natural products and their …

Exploring molecular structure, spectral features, electronic properties and molecular docking of a novel biologically active heterocyclic compound 4 …

R Arivazhagan, C Sridevi, A Prakasam - Journal of Molecular Structure, 2021 - Elsevier
The experimental and theoretical studies on the structure and vibrations of 4-phenyl
thiosemicarbazide (PTSC)(IUPAC: 3-amino-1-phenylthiourea) have been carried out using …

Synthesis and DFT computations on structural, electronic and vibrational spectra, RDG analysis and molecular docking of novel Anti COVID-19 molecule 3, 5 Dimethyl …

XDD Dexlin, JDD Tarika, SM Kumar… - Journal of Molecular …, 2021 - Elsevier
Abstract Prospective Anti-viral compound 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate
(DPDS) was synthesized and characterized using FT-IR, FT-Raman, UV and NMR spectra …