Schiff bases: Interesting scaffolds with promising antitumoral properties

D Iacopetta, J Ceramella, A Catalano, C Saturnino… - Applied Sciences, 2021 - mdpi.com
Schiff bases, named after Hugo Schiff, are highly reactive organic compounds broadly used
as pigments and dyes, catalysts, intermediates in organic synthesis, and polymer stabilizers …

Schiff base metallodrugs in antimicrobial and anticancer chemotherapy applications: a comprehensive review

S Shekhar, AM Khan, S Sharma, B Sharma, A Sarkar - Emergent Materials, 2022 - Springer
The proliferation in cancer and multidrug-resistant infections amidst personage with the
evolution of civilization is an alarming bone of contention. Cancer has long been the pre …

Molecular dynamics simulation of novel diamino-functionalized hollow mesosilica spheres for adsorption of dyes from synthetic wastewater

R Pelalak, R Soltani, Z Heidari, RE Malekshah… - Journal of Molecular …, 2021 - Elsevier
We studied the facile synthesis, design, simulation, and modeling of novel diamino-
functionalized hollow mesosilica spheres (DAF-HMSS) structures to remove Neutral Red …

Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi …

J Haribabu, V Garisetti, RE Malekshah… - Journal of molecular …, 2022 - Elsevier
Abstract Two heterocyclic azole compounds, 3-(2, 3-dihydrobenzo [d] thiazol-2-yl)-4H-
chromen-4-one (SVS1) and 5-(1H-indol-3-yl)-4-methyl-2, 4-dihydro-3H-1, 2, 4-triazole-3 …

Benzothiazole sulfonate derivatives bearing azomethine: Synthesis, characterization, enzyme inhibition, and molecular docking study

A Korkmaz, E Bursal - Journal of Molecular Structure, 2022 - Elsevier
Enzyme inhibition is one of the most applied ways to find new diagnostic facilities for the
prevention and treatment of many health problems. Tyrosinase and pancreatic lipase …

Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach

AU Hassan, SH Sumrra, W Zafar, M Imran… - Molecular …, 2023 - Taylor & Francis
The end-capped modelling of non-fullerene acceptor (NFA) units have been performed onto
the structure of a dithiophene-based 6, 6′-di (thiophen-2-yl)-4, 4′-bipyrimidine (DTB) …

Synthesis, molecular dynamics simulation and adsorption study of different pollutants on functionalized mesosilica

R Pelalak, R Soltani, Z Heidari, RE Malekshah… - Scientific reports, 2021 - nature.com
Experimental and computational works were carried out on a new type of mesoporous silica.
In the experimental section, functionalized hollow mesosilica spheres were prepared via a …

Isolation, characterization, in vitro anticancer activity, dft calculations, molecular docking, bioactivity score, drug-likeness and admet studies of eight phytoconstituents …

DA Abdelrheem, AA Rahman, KNM Elsayed… - Journal of molecular …, 2021 - Elsevier
Recently, macroalgae or seaweeds serve as a treasure of potential drugs for cancer therapy.
The present study investigated the cytotoxic activity of eight compounds isolated from the …

Molecular modeling studies on 2, 4-disubstituted imidazopyridines as anti-malarials: Atom-based 3D-QSAR, molecular docking, virtual screening, in-silico ADMET and …

SN Mali, A Pandey - Journal of Computational Biophysics and …, 2021 - World Scientific
Malarial parasites have been reported for moderate-high resistance towards classical
antimalarial agents and henceforth development of newer novel chemical entities targeting …

Synthesis, biological and molecular docking studies of pyrimidine-derived bioactive Schiff bases

S Manzoor, RA Tahir, MA Younis, WL Cao, A Ali… - Bioorganic …, 2023 - Elsevier
Pyrimidine which is an important constituent of the genetic material of deoxyribonucleic acid,
is identified with a large number of biological activities. Based on this, pyrimidine-derived …