Abstract: With the increasing global burden of diabetes mellitus type 2, the
search for the new drugs, with better pharmacological profile is continued. As a
part of this surge, the synthesis, pharmacological in vitro and computational
evaluation of five, simple carbamate derivatives, against carbohydrate digestive
enzyme α-glucosidase, is disclosed herein. Results of the experimental and
computational assessment indicated that examined carbamates deterred the activity
of α-glucosidase with acceptable IC50 values ranging from 65.34 to 79.89
μM compared to a standard drug acarbose (109.71 μM). Similarly, the studied
compounds displayed in silico binding affinity for α-glucosidase enzyme with
significant binding energies. Preliminary toxicity profiles of studied carbamates
against three cancerous cell lines indicated their poor activity, suggesting that
significant structural modifications have to be made to improve their anticancer
efficiency. Results of the present study indicate that the examined carbamates
were able to virtually or experimentally interact with an important target of diabetes
mellitus type 2. Additionally, a new pharmacophore model is proposed
featuring hydrogen bond donating carbamate –NH group, hydrogen bond accepting
carbamate –OCH3 group and hydrophobic stabilization of aromatic moieties.
