Innovation of 6-sulfonamide-2<i>H</i>-chromene derivatives as antidiabetic agents targeting α-amylase, α-glycosidase, and PPAR-γ inhibitors with <i>in silico</i> molecular docking simulation
Hamdy Khamees Thabet, Ahmed Ragab, Mohd Imran, Mohamed H. Helal, Saleh I. Alaqel, Ahmed Alshehri, Abida Khan, Saleh Saad Alshammari, Yousry A. Ammar, Moustafa S. Abusaif
Abstract
ADMET prediction showed that these derivatives have an acceptable range of oral bioavailability, drug-likeness, and a safe toxicity profile, including being non-cytotoxic, non-mutagenic, non-immunotoxic, and non-carcinogenic. Finally, computational docking analysis demonstrated the ability of these derivatives to interact with α-amylase, α-glucosidase, and PPAR-γ enzymes, with confirmed successful placement due to good binding energy values and various interactions within the pocket.
Topics & Concepts
In silicoSulfonamideChemistryDocking (animal)Glycoside hydrolaseCombinatorial chemistryAmylasePharmacologyComputational biologyBiochemistryStereochemistryEnzymeBiologyMedicineGeneNursingClick Chemistry and ApplicationsEnzyme function and inhibitionEnzyme Catalysis and Immobilization