Background: Rapid evolution of drug resistance and side effects of currently used drugs
develop more efficacious and newer antimicrobial agents. Further, for the management of Type II
Diabetes, α-gulcosidase and α-amylase inhibitors play a very important role by inhibiting the postprandial
Objectives: The objective of this study was to synthesize N-aryl/N,N-dimethyl sulphonamides, investigate
their antihyperglycemic and antimicrobial potential, develop QSAR model for identifying
molecular descriptors and predict their binding modes and in silico ADMET properties.
Methods: Synthesized derivatives were subjected to in vitro studies for their antidiabetic activity
against α-glucosidase and α-amylase enzymes and antimicrobial activity. Molecular docking studies
were carried out to find out molecular binding interactions of the ligand molecules with their
respective targets. QSAR studies were carried out to identify structural determinants responsible
for antimicrobial activity.
Results: Antidiabetic study demonstrated the potent activity of two compounds 2 and 6 as α-
glucosidase and α-amylase inhibitors, as well as compound 1 and 2, exhibited potent antimicrobial
activity against all the tested microbes. All the compounds have more antifungal potential against
Candida albicans. QSAR studies confirmed the role of molecular connectivity indices (valence
first order and second order) in controlling the antimicrobial activity. Molecular docking studies
supported the observed in vitro biological activities of the synthesized compounds.
Conclusion: The compounds with 2,3-dimethyl substitution were found to be antidiabetic agents
and molecules having bromo and 2,3-dimethyl substituents on phenyl ring have established themselves
as potent antimicrobial agents. The role of valence first and 2nd order molecular connectivity
indices as molecular properties were identified for antimicrobial activity and various electrostatic,
hydrogen bonding and hydrophobic interactions were found to be prominent in the binding of molecules
at the target site.