Design, synthesis, molecular modeling, anticancer studies, and density functional theory calculations of 4-(1, 2, 4-triazol-3-ylsulfanylmethyl)-1, 2, 3-triazole derivatives

A Al Sheikh Ali, D Khan, A Naqvi, FF Al-Blewi… - ACS …, 2020 - ACS Publications
New conjugates of substituted 1, 2, 3-triazoles linked to 1, 2, 4-triazoles were synthesized
starting from the appropriate S-propargylated 1, 2, 4-triazoles 7 and 8. Ligation of 1, 2, 4 …

Ent-kaurane diterpenoids from the Annonaceae family: a review of research progress and call for further research

TS Ibrahim, P Khongorzul, M Muyaba… - Frontiers in …, 2023 - frontiersin.org
The Annonaceae is one of the plant families with members that are credited with numerous
pharmacological functions. Among the group of compounds responsible for these …

Synthesis, molecular docking study, and cytotoxic activity against MCF cells of new Thiazole–Thiophene scaffolds

SM Gomha, SM Riyadh, B Huwaimel, MEM Zayed… - Molecules, 2022 - mdpi.com
Investigating novel compounds that may be useful in designing new, less toxic, selective,
and potent breast anticancer agents is still the main challenge for medicinal chemists. Thus …

Novel 2-hydroselenonicotinonitriles and selenopheno [2, 3-b] pyridines: Efficient synthesis, molecular docking-DFT modeling, and antimicrobial assessment

MH Abdellattif, AAH Abdel-Rahman, MMH Arief… - Frontiers in …, 2021 - frontiersin.org
Selenium containing heterocyclic compounds gained great interest as bioactive molecules
as of late. This report explores the design, synthesis, characterization, and antimicrobial …

Novel saccharin analogs as promising antibacterial and anticancer agents: synthesis, DFT, POM analysis, molecular docking, molecular dynamic simulations, and cell …

MH Abdellattif, A Elkamhawy, M Hagar… - Frontiers in …, 2022 - frontiersin.org
Saccharine is a pharmacologically significant active scaffold for various biological activities,
including antibacterial and anticancer activities. Herein, saccharinyl hydrazide (1) was …

Modelling the Anti-Methicillin-Resistant Staphylococcus Aureus (MRSA) Activity of Cannabinoids: A QSAR and Docking Study

E Cortes, J Mora, E Márquez - Crystals, 2020 - mdpi.com
Twenty-four cannabinoids active against MRSA SA1199B and XU212 were optimized at
WB97XD/6-31G (d, p), and several molecular descriptors were obtained. Using a multiple …

Green and red Brazilian propolis: antimicrobial potential and anti‐virulence against ATCC and clinically isolated multidrug‐resistant bacteria

T de Souza Silva, JMB Silva, GH Braun… - Chemistry & …, 2021 - Wiley Online Library
Brazilian green and red propolis stand out as commercial products for different medical
applications. In this article, we report the antimicrobial activities of the hydroalcoholic …

[HTML][HTML] Ent-kaurenoic acid-enriched Mikania glomerata leaves-complexed β-cyclodextrin: Pharmaceutical development and in vivo antitumor activity in a sarcoma …

AVF Alves, CR Melo, JL Chagas-Neto… - International Journal of …, 2023 - Elsevier
The extract obtained from Mikania glomerata leaves rich in ent-kaurenoic acid (ERKA)
shows cytotoxic activity in vitro, but its hydrophobic nature and thermosensitivity are issues …

Copaifera multijuga, Copaifera pubiflora and Copaifera trapezifolia Oleoresins: Chemical Characterization and in vitro Cytotoxic Potential against Tumoral Cell …

LJ Carneiro, TO Tasso, MFC Santos… - Journal of the Brazilian …, 2020 - SciELO Brasil
Copaifera species (Fabaceae) comprises approximately 70 species of large trees, from
which 16 can be found in Brazil. The oleoresins obtained from their trunk are widely used in …

A New Family of Benzo[h]Chromene Based Azo Dye: Synthesis, In-Silico and DFT Studies with In Vitro Antimicrobial and Antiproliferative Assessment

AS Abd-El-Aziz, A Alsaggaf, E Assirey, A Naqvi… - International Journal of …, 2021 - mdpi.com
The high biological activity of the chromene compounds coupled with the intriguing optical
features of azo chromophores prompted our desire to construct novel derivatives of …