Synthesis, molecular docking and molecular dynamic simulation studies of 2-chloro-5-[(4-chlorophenyl)sulfamoyl]-N-(alkyl/aryl)-4-nitrobenzamide derivatives as antidiabetic agents.

ABSTRACT: A series of 2-chloro-5-[(4-chlorophenyl)sulfamoyl]-N-(alkyl/aryl)-4-nitrobenzamide derivatives (5a-5v) has been synthesized and confirmed by physicochemical(R_f, melting point) and spectral means (IR, ¹HNMR, ¹³CNMR). The results of in vitro antidiabetic study against α-glucosidase indicated that compound 5o bearing 2-CH₃-5-NO₂ substituent on phenyl ring was found to be the most active compound against both enzymes. The electron donating (CH₃) group and electron withdrawing (NO₂) group on a phenyl ring highly favoured the inhibitory activity against these enzymes. The docking simulations study revealed that these synthesized compounds displayed hydrogen bonding, electrostatic and hydropho

SUBMITTER: Thakral S 

PROVIDER: S-EPMC7416410 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature