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 …

Design, synthesis, anticancer activity of new amide derivatives derived from 1, 2, 3-triazole-benzofuran hybrids: An insights from molecular docking, molecular …

N Gariganti, SK Loke, E Pagadala, P Chinta… - Journal of Molecular …, 2023 - Elsevier
A new series of amide derivatives derived from 1, 2, 3-triazole-benzofuran hybrids (9a-j)
have been synthesized and their structures were confirmed by using spectroscopic …

Rationale design, synthesis, cytotoxicity evaluation, and in silico mechanistic studies of novel 1, 2, 3-triazoles with potential anticancer activity

EM Othman, EA Fayed, EM Husseiny… - New Journal of …, 2022 - pubs.rsc.org
A new set of 1, 2, 3-triazoles was designed and synthesized to evaluate their potential to
inhibit the growth of cancer cells. Thiazole, thiazolone, and hydrazine as effective fragments …

New 1, 2, 3-triazole-containing hybrids as antitumor candidates: Design, click reaction synthesis, DFT calculations, and molecular docking study

IH El Azab, HS El-Sheshtawy, RB Bakr, NAA Elkanzi - Molecules, 2021 - mdpi.com
In an effort to improve and achieve biologically active anticancer agents, a novel series of 1,
2, 3-triazole-containing hybrids were designed and efficiently synthesized via the Cu …

Design, synthesis, anticancer and antioxidant activities of amide linked 1, 4-disubstituted 1, 2, 3-triazoles

CP Kaushik, J Sangwan, R Luxmi, D Kumar… - Journal of Molecular …, 2021 - Elsevier
To explore anticancer and antioxidant agents with improved potency, we synthesized a
series of amide linked 1, 4-disubstituted 1, 2, 3-triazoles through click chemistry approach …

Novel 1, 2, 4-triazole derivatives as potential anticancer agents: Design, synthesis, molecular docking and mechanistic studies

HAM El-Sherief, BGM Youssif, SNA Bukhari… - Bioorganic …, 2018 - Elsevier
A series of novel compounds carrying 1, 2, 4-triazole scaffold was synthesized and
evaluated for their anticancer activity against a panel of cancer cell lines using MTT assay …

Synthesis, structure‐activity relationship and in silico studies of novel pyrazolothiazole and thiazolopyridine derivatives as prospective antimicrobial and anticancer …

IMM Othman, MAM Gad‐Elkareem… - …, 2021 - Wiley Online Library
In our attempt to develop potential new drug candidates with promising dual antimicrobial
and anticancer activities, a series of pyrazolothiazole and thiazolopyridine analogues has …

Synthesis of 1, 4-dihydropyrano [2, 3-c] pyrazole derivatives and exploring molecular and cytotoxic properties based on DFT and molecular docking studies

AM Fouda, MAA El-Nassag, AA Elhenawy… - Journal of Molecular …, 2022 - Elsevier
One-pot multicomponent reaction of ethyl 3-oxobutanoate or ethyl 3-oxo-3-
phenylpropanoate, hydrazine hydrate, malononitrile, various aldehydes in ethanolic …

Synthesis and characterization of novel thiazole derivatives as potential anticancer agents: Molecular docking and DFT studies

R Raveesha, AM Anusuya, AV Raghu, KY Kumar… - Computational …, 2022 - Elsevier
New thiazole derivatives (2a-l) were synthesized via the reaction of 2-(3-cyano-4-
isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid with substituted phenyl amines. The …

Synthesis, biological activities, molecular docking, theoretical calculations of some 1, 3, 4-oxadiazoles, 1, 2, 4-triazoles, and 1, 2, 4-triazolo [3, 4-b]-1, 3, 4-thiadiazines …

HEM Tolan, AM Fahim, EHI Ismael - Journal of Molecular Structure, 2023 - Elsevier
In this elucidation, we synthesized different 1, 3, 4-oxadiazoles, 1, 2, 4-triazoles, and 1, 2, 4-
triazolo [3, 4-b]-1, 3, 4-thiadiazine ring system through the reaction of hydrazide derivatives …