Novel isatin–triazole based thiosemicarbazones as potential anticancer agents: synthesis, DFT and molecular docking studies

A Mushtaq, R Asif, WA Humayun, MM Naseer - RSC advances, 2024 - pubs.rsc.org
Thiosemicarbazones of isatin have been found to exhibit versatile bioactivities. In this study,
two distinct types of isatin–triazole hybrids 3a and 3b were accessed via copper-catalyzed …

5-Fluoro-1H-indole-2, 3-dione-triazoles-synthesis, biological activity, molecular docking, and DFT study

S Deswal, RK Tittal, DG Vikas, K Lal, A Kumar - Journal of Molecular …, 2020 - Elsevier
An environmental friendly heterogeneous catalyst Cell-CuI-NPs was employed for the
synthesis of biologically promising 1-((1-aryl)-1H-1, 2, 3-triazol-4-yl) methyl-5-fluoroindoline …

Facile Ultrasound‐Based Synthesis, SC‐XRD, DFT Exploration of the Substituted Acyl‐Hydrazones: An Experimental and Theoretical Slant towards Supramolecular …

M Khalid, A Ali, S Abid, MN Tahir, MU Khan… - …, 2020 - Wiley Online Library
Sono‐chemical synthesis is safest and greener methods to fabricate valuable scaffolds in
short time. Currently, we are reporting an efficient ultrasound‐based synthesis of substituted …

Investigating the binding of organic charge transfer co-crystals to human serum albumin by experimental and theoretical methods: spectroscopy, molecular docking …

IM Khan, A Khan, S Shakya, M Osama… - New Journal of …, 2024 - pubs.rsc.org
A new complex was formed by the transfer of charge between 2-ethylimidazole (2-EIM) as
an electron donor and 1, 2, 4, 5-benzenetetracarboxylic acid (BTC) as a π acceptor and …

Synthesis, structure elucidation, SC-XRD/DFT, molecular modelling simulations and DNA binding studies of 3,5-diphenyl-4,5-dihydro-1H-pyrazole chalcones

G Mustafa, S Sabir, SH Sumrra, W Zafar… - Journal of …, 2023 - Taylor & Francis
Deoxyribonucleic acid (DNA) acts as the most important intracellular target for various drugs.
Exploring the DNA binding interactions of small bioactive molecules offers a structural …

Synthesis, characterization and biological evaluation of novel azo fused 2, 3-dihydro-1H-perimidine derivatives: In vitro antibacterial, antibiofilm, anti-quorum sensing …

N Nagasundaram, C Govindhan, S Sumitha… - Journal of Molecular …, 2022 - Elsevier
A catalyst-free efficient approach for the synthesis of a novel series of azo fused 2, 3-dihydro-
1H-perimidine scaffolds is described via one-pot cyclocondensation reactions of multifarious …

Synthesis of water-soluble novel bioactive pyridine-based azo coumarin derivative and competitive cytotoxicity, DNA binding, BSA binding study, and in silico analysis …

P Karan, B Shit, P Panja, A Khatun, J Pal… - Bioorganic …, 2023 - Elsevier
The diazo coupliling reaction of 3-amino pyridine with coumarin in water medium produces
water soluble 6-[3-pyridyl] azocoumarin. The synthesised compound has been fully …

Generic hapten synthesis, broad-specificity monoclonal antibodies preparation, and ultrasensitive ELISA for five antibacterial synergists in chicken and milk

H Li, S Ma, X Zhang, C Li, B Dong… - Journal of Agricultural …, 2018 - ACS Publications
An antibody with broad specificity and principally depending on hapten structure and size is
a key reagent for develo** a class-selective immunoassay. In the present study, three new …

Development of epitopephore-based rational hapten design strategy: A combination of theoretical evidence and experimental validation

X Zhang, Y Bai, Q Tang, M Liu, L Nan, K Wen… - Journal of hazardous …, 2023 - Elsevier
Antibody is the key biomolecule that governing the sensitivity and specificity of an
immunoassay for chemical compound, also named hapten molecule. Obviously, predication …