Synthesis, antimicrobial evaluation, molecular docking and theoretical calculations of novel pyrazolo [1, 5-a] pyrimidine derivatives

AM Fahim, AM Farag - Journal of Molecular Structure, 2020 - Elsevier
New fused heterocyclic compounds were synthesized starting from dimethyl terephthalate,
as a versatile precursor, via its reactions with the appropriate reagents. The structures of the …

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 …

New pyrazolo-triazolo-pyrimidine derivatives as antibacterial agents: Design and synthesis, molecular docking and DFT studies

M Horchani, A Hajlaoui, AH Harrath, L Mansour… - Journal of Molecular …, 2020 - Elsevier
A new series of antibacterial pyrazolo-triazolo-pyrimidine derivatives 3a-3i were synthesized
in two steps starting from aminopyrazole 1 and characterized by 1 H NMR 13 C NMR and …

Pyrazolo-imidazolidinones: Synthesis, antimicrobial assessment and molecular modelling studies by molecular mechanic and quantum mechanic approach

NC Desai, SB Joshi, AG Khasiya, DJ Jadeja… - Journal of Molecular …, 2022 - Elsevier
Antimicrobial resistance (AMR) and multidrug resistance (MDR) have become global
therapeutic barriers and due to this, there is increasing global mortality. To overcome …

Synthesis, molecular docking, and in silico ADME prediction of some fused pyrazolo[1,5-a]pyrimidine and pyrazole derivatives as potential antimicrobial agents

AS Hassan, NM Morsy, HM Awad, A Ragab - Journal of the Iranian …, 2022 - Springer
Abstract Twenty compounds of pyrazolo [1, 5-a] pyrimidines 14a–j and pyrazole derivatives
as Schiff bases 16a–j have been synthesized by the reaction of 5-amino-pyrazole …

Synthesis of novel antipyrine-azole-S-alkyl derivatives antimicrobial activity, molecular docking, and computational studies

YU Cebeci, H Bayrak, ŞA Karaoğlu… - Journal of Molecular …, 2022 - Elsevier
In this investigation, we synthesized the newly antipyrine-azole-S-alkyl and their reduction
derivatives that were screened for their antimicrobial activity and compared them with …

Synthesis, antimicrobial and antiproliferative activities, molecular docking, and computational studies of novel heterocycles

AM Fahim, HEM Tolan, H Awad, EHI Ismael - Journal of the Iranian …, 2021 - Springer
We studied the reaction of enaminone 3 with some nitrogen nucleophiles to afford the
corresponding pyrazole 4, isoxazole 5, and pyrimidine 6 derivatives, and the reactivity of …

Efficient synthesis and molecular docking of novel antibacterial pyrimidines and their related fused heterocyclic derivatives

SMH Sanad, AAM Ahmed… - Journal of Heterocyclic …, 2020 - Wiley Online Library
(Benzo [d][1, 3] dioxol‐5‐yl)‐1‐(thiophen‐2‐yl) prop‐2‐en‐1‐one reacted with each of
thiourea and 6‐amino‐2‐thioxo‐2, 3‐dihydropyrimidin‐4 (1H)‐one to give the …

Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and …

M Rbaa, A Oubihi, H Hajji, B Tüzün, A Hichar… - Journal of Molecular …, 2021 - Elsevier
The present study aims to first explore the relationship between the chemical structure of the
organic compounds (pyridine based on 8-hydroxyquinoline) and the antibacterial activities …

[HTML][HTML] Synthesis, characterization, and in vitro antibacterial activity of some new pyridinone and pyrazole derivatives with some in silico ADME and molecular …

KE Saadon, NMH Taha, NA Mahmoud… - Journal of the Iranian …, 2022 - Springer
A new series of pyridine-2-one and pyrazole derivatives were designed and synthesized
based on cyanoacrylamide derivatives containing 2, 4-dichlro aniline and 6-methyl 2-amino …