Synthesis, in silico prediction and in vitro evaluation of antimicrobial activity, dft calculation and theoretical investigation of novel xanthines and uracil containing …

S El-Kalyoubi, F Agili, WA Zordok… - International Journal of …, 2021 - mdpi.com
Novel xanthine and imidazolone derivatives were synthesized based on oxazolone
derivatives 2a-c as a key intermediate. The corresponding xanthine 3-5 and imidazolone …

In silico DFT study, molecular docking, and ADMET predictions of cytidine analogs with antimicrobial and anticancer properties

KM Rana, J Maowa, A Alam, S Dey, A Hosen… - In Silico …, 2021 - Springer
Nucleoside analogs contribute in pharmaceutical and clinical fields as medicinal agents and
approved drugs. This work focused to investigate the antimicrobial, anticancer activities, and …

Synthesis, identification, computer-aided docking studies, and ADMET prediction of novel benzimidazo-1, 2, 3-triazole based molecules as potential antimicrobial …

HRM Rashdan, AH Abdelmonsef, MM Abou-Krisha… - Molecules, 2021 - mdpi.com
2-azido-1 H-benzo [d] imidazole derivatives 1a, b were reacted with a β-ketoester such as
acetylacetone in the presence of sodium ethoxide to obtain the desired molecules 2a, b. The …

Synthesis, characterization, and in vitro antibacterial activity of some new pyridinone and pyrazole derivatives with some in silico ADME and molecular modeling study

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 …

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, In Silico Study, Antibacterial and Antifungal Activities of N-phenylbenzamides

MI Sulistyowaty, GS Putra, T Budiati… - International Journal of …, 2023 - mdpi.com
Antibiotic and antifungal resistance problems have been prevalent in recent decades. One
of the efforts to solve the problems is to develop new medicines with more potent …

Heterocyclic compounds bearing pyrimidine, oxazole and pyrazole moieties: design, computational, synthesis, characterization, antibacterial and molecular docking …

M Arshad - SN Applied Sciences, 2020 - Springer
The recent study represented, the computational analysis, synthesis, characterization,
antimicrobial and molecular docking assessment of three compounds with some important …

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, 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 …

Green synthesis, antibacterial and antifungal evaluation of new thiazolidine-2, 4-dione derivatives: molecular dynamic simulation, POM study and identification of …

S Ahmed, AR Bhat, AK Rahiman… - Journal of …, 2023 - Taylor & Francis
In this study, a series of thiazolidine-2, 4-dione derivatives 3a–i were synthesized and
evaluated for antibacterial activity against Gram-positive and Gram-negative strains of …