[HTML][HTML] Studies on thiophene-thiazole-carbohydrazides as methicillin-resistant staphylococcus aureus (MRSA) agents: insight from DFT and Molecular docking …

EL Kechi, BE Inah, HO Edet, H Louis - Chemical Physics Impact, 2023 - Elsevier
Methicillin-resistant Staphylococcus aureus (MRSA) is an increasingly common bacterial
infection that poses a serious threat to human health. MRSA is resistant to many common …

[HTML][HTML] Molecular properties and In silico bioactivity evaluation of (4-fluorophenyl)[5)-3-phen-(4-nitrophenyl yl-4, 5-dihydro-1H-pyrazol-1-yl] methanone derivatives …

IA Omotayo, S Banjo, OT Emmanuel, LD Felix… - Journal of Taibah …, 2023 - Elsevier
Objectives Molecular structures, spectroscopic properties, charge distributions, frontier
orbital energies, nonlinear optical (NLO) properties and molecular docking simulations were …

An updated review on 1, 2, 3-/1, 2, 4-triazoles: synthesis and diverse range of biological potential

APS Raman, M Aslam, A Awasthi, A Ansari, P Jain… - Molecular Diversity, 2024 - Springer
The synthesis of triazoles has attracted a lot of interest in the field of organic chemistry
because of its versatile chemical characteristics and possible biological uses. This review …

1, 2, 3-triazole and chiral Schiff base hybrids as potential anticancer agents: DFT, molecular docking and ADME studies

Y Belay, A Muller, FS Mokoena, AS Adeyinka… - Scientific Reports, 2024 - nature.com
Abstract A series of novel 1, 2, 3-triazole and chiral Schiff base hybrids 2–6 were
synthesized by Schiff base condensation reaction from pre-prepared parent component of …

Exploring of N-phthalimide-linked 1, 2, 3-triazole analogues with promising anti-SARS-CoV-2 activity: synthesis, biological screening, and molecular modelling studies

A Aljuhani, M Alsehli, MA Seleem… - Journal of Enzyme …, 2024 - Taylor & Francis
In this study, a library of phthalimide Schiff base linked to 1, 4-disubstituted-1, 2, 3-triazoles
was designed, synthesised, and characterised by different spectral analyses. All analogues …

Microwave-assisted click synthesis, characterisation, and In silico studies of novel 2H-chromene-1, 2, 3-triazolyl glycoconjugates as potent anticancer and …

BS Panda, MA Ahemad, S Mohapatra, E Naik… - Journal of Molecular …, 2024 - Elsevier
A series of novel 2H-chromene-1, 2, 3-triazolyl glycoconjugates 10a-w were synthesized,
well characterized and evaluated for their in vitro antimicrobial and anticancer activities …

Pyrazoline Spiro-oxindole tethered 1, 2, 3-triazole hybrids: Design, synthesis, antimicrobial efficacy and molecular modelling studies

A Bhukal, V Kumar, APS Raman, A Kumar, P Singh… - Molecular Diversity, 2024 - Springer
Inspired from the important applications of spirocyclic compounds in medicinal chemistry, a
new series of pyrazoline Spiro-oxindole tethered 1, 2, 3-triazole hybrids was reported via Cu …

Greener and Highly Efficient Synthesis, In Silico ADMET and Molecular Docking Studies of Potent Antimicrobial Thiophene Clubbed Pyrazole‐1, 2, 3‐Triazole Hybrids

MJ Sherashiya, DC Kanjariya, YT Naliapara… - …, 2024 - Wiley Online Library
To achieve environmentally benign synthesis and develop pharmacologically active
compounds, a library of novel thiophene‐clubbed pyrazole‐1, 2, 3‐triazole hybrids was …

Synthesis and evaluation of antibacterial activity of bis-eudesmanolides connected by nitrogen-containing linkers

SS Patrushev, DO Vasil'eva, LG Burova… - Russian Chemical …, 2023 - Springer
The reaction of isoalantolactone with primary amines or piperazine proceeds under mild
conditions with high stereoselectivity to give 11, 13-isoalantolactone dimers connected by …

[HTML][HTML] Dataset on substituents effect on biological activities of linear RGD-containing peptides as potential anti-angiotensin converting enzyme

AK Oyebamiji, SA Akintelu, ET Akintayo, CO Akintayo… - Data in Brief, 2023 - Elsevier
The angiotensin converting enzyme inhibiting activity of linear rgd-containing peptides was
investigated using in silico approach. The synthesized compound (parent compound) using …