Open AccessSynthesis, In-vitro Antioxidant, Anti-diabetic Evaluation and Docking Studies of Newly Synthesized Benzoxazole Derivatives
Author(s) -
Manuel Rodrigues,
Basavaraju Bennehalli,
Vagdevi Hosadu Manjappaiah,
Shruthi Anantha
Publication year - 2021
Publication title -
trends in sciences
Language(s) - English
Resource type - Journals
ISSN - 2774-0226
DOI - 10.48048/tis.2021.35
Subject(s) - dpph , chemistry , benzoxazole , antioxidant , docking (animal) , ascorbic acid , malononitrile , carbon 13 nmr , acarbose , stereochemistry , organic chemistry , combinatorial chemistry , enzyme , catalysis , medicine , nursing , food science
In the present study, a set of different benzoxazole derivatives has been synthesized from ethyl acetoacetate, ethoxymethylene malononitrile, NaNO2, and organic acids. Analytical instruments like proton NMR (1H), carbon NMR (13C), infrared spectroscopy (IR), and LC-MS mass spectrometry were used for structural characterization. Synthesized molecules were evaluated for In-vitro antioxidant property (DPPH assay, Total antioxidant & reducing power method) and anti-diabetic property (alpha-amylase & alpha-glucosidase assay). In silico, studies against Human pancreatic alpha-amylase (PDB ID: 3BAW) have been carried out to get the binding approach of the ligand towards the protein. The results demonstrated that compounds namely 5b, 6b, 3b and 4b had potent antioxidant and anti-diabetic activity compared with ascorbic acid and acarbose.HIGHLIGHTSAnti-oxidant (DPPH assay, Total antioxidant and Reducing power) and Anti-diabetic (alpha-amylase & alpha-glucosidase assay) activities performed for synthesized moleculesSulfonamide substitutions are more potent towards biological activitiesIn silico docking studies correlate with in vitro studiesThe small three-dimensional, stable structure and its ability to form hydrogen bonding the molecules show good activity towards antioxidant and anti-diabeticGRAPHICAL ABSTRACT