Asset Details
Do you wish to reserve the book?
Synthesis, antioxidant and antimicrobial activities, molecular docking study of new pyrimidine derivatives
Hey, we have placed the reservation for you!
By the way, why not check out events that you can attend while you pick your title.
Oops! Something went wrong.
Looks like we were not able to place the reservation. Kindly try again later.
Are you sure you want to remove the book from the shelf?
Synthesis, antioxidant and antimicrobial activities, molecular docking study of new pyrimidine derivatives
Do you wish to request the book?
Synthesis, antioxidant and antimicrobial activities, molecular docking study of new pyrimidine derivatives
Please be aware that the book you have requested cannot be checked out. If you would like to checkout this book, you can reserve another copy
We have requested the book for you!
Your request is successful and it will be processed during the Library working hours. Please check the status of your request in My Requests.
Oops! Something went wrong.
Looks like we were not able to place your request. Kindly try again later.
Journal Article
Synthesis, antioxidant and antimicrobial activities, molecular docking study of new pyrimidine derivatives
2026
Overview
Organic compounds, especially heterocyclic compounds, are known for their significant bioactivity, in this work, novel pyrimidine derivatives
3–11
were synthesized from the reaction of chalcon compound
1
with hydrogen peroxide to give oxiran compound
2
which reacted with thiourea producing the precursor key compound
3
. Elemental analysis and several spectroscopic techniques were used to determine the molecular structures of the novel derivatives. All the new analogs were screened against four human pathogenic microbial strains: Escherichia coli as Gram-negative bacteria, Bacillus subtilis as Gram-positive bacteria and the yeast Candida albicans and Aspergillus niger using agar diffusion method, suggesting broad-spectrum potential. whereas compounds
5, 9a
and
11
exhibited high inhibitory action with an inhibition zone of 17–20 mm compared to standard drugs, Streptomycin and Cycloheximide. Antioxidant profile employing DPPH radical scavenging studies further proved their capacity to lower oxidative stress. Whereas compounds
5, 9a
and
11
showed significant DPPH activity and antioxidant activities. Additionally, at doses of 2.0, 1.0, and 0.5 mg/ml, compounds
3, 4, 6a, 8
and
9b
showed moderate antioxidant activity. Conversely, compounds
6b, 6c, 7
and
10
showed very little DPPH activity. Molecular docking tests revealed strong binding affinities with significant microbial enzymes, which corroborated these conclusions and were in line with their observed inhibitory effects. Complementary and drug-like in silico ADMET testing confirmed that Lipinski’s recommendations were followed, showing that oral delivery was suitable. Some of the produced compounds showed good pharmacological activity when compared to reference controls. A comprehensive synthesis, spectroscopic analyses, and pharmacological activity were all reported.
Publisher
Nature Publishing Group UK,Nature Publishing Group,Nature Portfolio
Subject
/ 631/154
/ 631/326
/ 631/45
/ 631/61
/ 639/638
/ Acids
/ Anti-Infective Agents - chemical synthesis
/ Anti-Infective Agents - chemistry
/ Anti-Infective Agents - pharmacology
/ Antioxidants - chemical synthesis
/ Aspergillus niger - drug effects
/ Bacillus subtilis - drug effects
/ Bacteria
/ Candida albicans - drug effects
/ Chalcone
/ Docking
/ E coli
/ Humanities and Social Sciences
/ Hydrogen
/ Molecular Docking Simulation
/ Potash
/ Pyrimidines - chemical synthesis
/ Science
