On December 31, 2020, Thakral, Samridhi; Narang, Rakesh; Kumar, Manoj; Singh, Vikramjeet published an article.Recommanded Product: 2-Chloro-4-nitrobenzoic acid The title of the article was Synthesis, molecular docking and molecular dynamic simulation studies of 2-chloro-5-[(4-chlorophenyl)sulfamoyl]-N-(alkyl/aryl)-4-nitrobenzamide derivatives as antidiabetic agents. And the article contained the following:
A series of title compounds I (R = Pr, 4-pyridyl, 2-bromophenyl, etc.) has been synthesized. The results of in vitro antidiabetic study against α-glucosidase indicated that compound I (R = 2-methyl-5-nitrophenyl) bearing 2-CH3-5-NO2 substituent on Ph ring was found to be the most active compound against both enzymes. The electron donating (CH3) group and electron withdrawing (NO2) group on a Ph ring highly favored the inhibitory activity against these enzymes. The docking simulations study revealed that these synthesized compounds displayed hydrogen bonding, electrostatic and hydrophobic interactions with active site residues. The structure activity relationship studies of these compounds were also corroborated with the help of mol. modeling studies. Mol. dynamic simulations have been done for top most active compound for validating its α-glucosidase and α-amylase inhibitory potential, and RMSD anal. of ligand protein complex suggested the stability of top most active compound I (R = 2-methyl-5-nitrophenyl) in binding site of target proteins. In silico ADMET results showed that synthesized compounds were found to have negligible toxicity, good solubility and absorption profile as the synthesized compounds fulfilled Lipinski’s rule of 5 and Veber’s rule. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Recommanded Product: 2-Chloro-4-nitrobenzoic acid
The Article related to chlorophenylsulfamoyl nitrobenzamide alkyl aryl preparation mol docking antidiabetic pharmacokinetic, admet, molecular docking, molecular dynamic simulations, α-amylase, α-glucosidase and other aspects.Recommanded Product: 2-Chloro-4-nitrobenzoic acid
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics