Folic acid-sulfonamide conjugates as antibacterial agents: design, synthesis and molecular docking studies
Shabnam Shahzad, Muhammad Abdul Qadir, Mahmood Ahmed, Saghir Ahmad, Muhammad Jadoon Khan, Asad Gulzar, Muhammad Muddassar
Abstract
studies, and inhibition assays revealed that compound DS2 exhibited a 75.4 ± 0.12% (mean ± standard error of the mean (SEM)) inhibition, which is comparable with the standard DHFR inhibitor trimethoprim (74.6 ± 0.09%). The compounds attached to the unsubstituted aryl moiety of the sulfonamides revealed better inhibition against the bacterial strains as compared to the methyl substituted aryl sulfonamides. Molecular docking studies of the novel synthesized conjugates were also performed on the DHFR enzyme to identify the plausible binding modes to explore the binding mechanisms of these conjugates.
Topics & Concepts
Dihydrofolate reductaseChemistryPteridineMoietyStereochemistryDocking (animal)ArylAntibacterial activityConjugateCombinatorial chemistryAmine gas treatingPyrimidineEnzymeBiochemistryOrganic chemistryBacteriaGeneticsAlkylMedicineMathematical analysisMathematicsNursingBiologyPneumocystis jirovecii pneumonia detection and treatmentHIV/AIDS drug development and treatmentSulfur-Based Synthesis Techniques