Polysubstituted pyrrolidines linked to 1, 2, 3-triazoles: Synthesis, crystal structure, DFT studies, acid dissociation constant, drug-likeness, and anti-proliferative activity

T Ince, R Serttas, B Demir, H Atabey… - Journal of Molecular …, 2020 - Elsevier
Abstract Novel pyrrolidines linked to 1, 2, 3-triazole derivatives, dimethyl 1-(2-(4-R-1 H-1, 2,
3-triazol-1-yl) acetyl)-5, 5-diphenylpyrrolidine-2, 4-dicarboxylate, were synthesized in the …

[HTML][HTML] Synthesis of functionalized aminopyrazole and pyrazolopyrimidine derivatives: Molecular modeling and docking as anticancer agents

A Hossan, M Aljohani, AF Alrefaei, K Althumayri… - Arabian Journal of …, 2023 - Elsevier
Three new functionalized 4-aminopyrazole derivatives were synthesized and cyclized with
phenyl isothiocyanate to yield the corresponding three pyrazolo [4, 3-d] pyrimidine …

[HTML][HTML] Synthesis, molecular modeling and bioactivity of new bis-thiazole, thiazole-pyrazole, and thiazole-pyridine analogues

A Bayazeed, RB Alnoman, K Alatawi… - Journal of Saudi …, 2023 - Elsevier
Several new thiazole derivatives linked pyrazole and/or pyridine rings were synthesized
based on the versatile precursor 2-(5-acetyl-4-methyl-3-phenylthiazol-2 (3H)-ylidene) …

Crystal structure, DFT, antimicrobial, anticancer and molecular docking of (4E)-4-((aryl) methyleneamino)-1, 2-dihydro-2, 3-dimethyl-1-phenylpyrazol-5-one

NE Eltayeb, J Lasri, SM Soliman, C Mavromatis… - Journal of Molecular …, 2020 - Elsevier
Abstract The Schiff bases (4 E)-4-((aryl) methyleneamino)-1, 2-dihydro-2, 3-dimethyl-1-
phenylpyrazol-5-one 3 were synthetized by reaction of aromatic aldehydes 1 and 4 …

Synthesis, characterization, X-Ray crystal study and bioctivities of pyrazole derivatives: Identification of antitumor, antifungal and antibacterial pharmacophore sites

A Titi, M Messali, BA Alqurashy, R Touzani… - Journal of Molecular …, 2020 - Elsevier
The reaction of hydroxymethyl pyrazole derivatives with one equivalent of the appropriate
primary amine yields N-((1h-pyrazol-1-yl) methyl) pyrimidin-2-amine (L 1), 2-(((1h-pyrazol-1 …

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 …

A new synthesis of poly heterocyclic compounds containing [1, 2, 4] triazolo and [1, 2, 3, 4] tetrazolo moieties and their DFT study as expected anti-cancer reagents

EM Abdelrehim, DS El-Sayed - Current Organic Synthesis, 2020 - ingentaconnect.com
Background: 2-amino-3-cyanopyridines are good starting reagents that have been used in
synthesis of many heterocyclic compounds such as pyridopyrimidines,[1, 2, 4] triazolo and …

Design and synthesis of novel 2-(4-(2-(dimethylamino) ethyl)-4H-1, 2, 4-triazol-3-yl) pyridines as potential antitumor agents

M Qin, X Zhai, H Xie, J Ma, K Lu, Y Wang… - European Journal of …, 2014 - Elsevier
Abstract New 2-(4-(2-(dimethylamino) ethyl)-4H-1, 2, 4-triazol-3-yl) pyridine derivatives were
synthesized and evaluated for their in vitro cytotoxicity against five cancer cell lines namely …

Synthesis, anti-proliferative activity, gene expression, docking and DFT investigation of novel pyrazol-1-yl-thiazol-4 (5H)-one derivatives

A Aboelnaga, E Mansour, AM Fahim… - Journal of molecular …, 2022 - Elsevier
In this elucidation, the novel thaizolone derivatives 8a-n were synthesised via the reaction
between thioamide derivatives 4a, b with chloroacetic acid and the appropriate aldehyde …

Synthesis, biological evaluation and DFT calculation of novel pyrazole and pyrimidine derivatives

AM Farag, AM Fahim - Journal of Molecular Structure, 2019 - Elsevier
The utility of the enaminonitriles 3a and 3b for the synthesis of the pyrazole derivatives 5a, b,
7a, b, diaminopyrimidine derivatives 9, 11, pyrazolo [1, 5-a] pyrimidines 12, 15, triazolo [4, 3 …