Thakal, Samridhi; Singh, Amit; Singh, Vikramjeet published an article in 2022, the title of the article was In vitro and in silico evaluation of N-(alkyl/aryl)-2-chloro-4-nitro-5- [(4-nitrophenyl)sulfamoyl]benzamide derivatives for antidiabetic potential using docking and molecular dynamic simulations.Application In Synthesis of 2-Chloro-4-nitrobenzoic acid And the article contains the following content:
Synthesis of N-(alkyl/aryl)-2-chloro-4-nitro-5-[(4-nitrophenyl)sulfamoyl]benzamide derivativesI(R = n-Pr, Ph, furan-2-ylmethyl, etc.) was synthesized and evaluated for its in vitro antidiabetic potential against α-glucosidase and α-amylase enzymes and also for its antimicrobial potential. Compounds I (R = 2-methyl-4-nitrophenyl, 2-methyl-5-nitrophenyl, (III)) were found to be the most potent α-glucosidase and α-amylase inhibitors with IC50 values of 10.13 and 1.52μM, resp. The docking results depicted reasonable dock score -10.2 to -8.0 kcal/mol (α-glucosidase), -11.1 to -8.3 kcal/mol (α-amylase) and binding interactions of synthesized mols. with resp. targets with enzymes. During mol. dynamic simulations, anal. of RMSD of ligand protein complex suggested stability of the most active compound at binding site of target proteins. Compound I (R = 2-chloro-4-nitrophenyl) showed antibacterial potential against Gram pos. and Gram neg. bacteria and compound (III) showed excellent antifungal potential against Candida albicans and Aspergillus niger. The computational studies were also executed to predict the drug-likeness and ADMET properties of the title compounds The I showed significant antidiabetic and antimicrobial potential which is equally supported by the mol. dynamic and docking studies. This study will prove useful in revealing the mol. structure and receptor target site details which can be further utilized for the development of newer active antidiabetic and antimicrobial agents. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Application In Synthesis of 2-Chloro-4-nitrobenzoic acid
The Article related to chloronitro nitrophenylsulfamoyl benzamide preparation docking antidiabetic antifungal antibacterial activity, antimicrobial activity, in silico admet, molecular modeling, α-glucosidase, α-amylase and other aspects.Application In Synthesis of 2-Chloro-4-nitrobenzoic acid
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