Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 176969-34-9, Name is 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, molecular formula is , belongs to pyrazoles-derivatives compound. In a document, author is Azimi, Fateme, Quality Control of 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid.
Design and synthesis of novel pyrazole-phenyl semicarbazone derivatives as potential alpha-glucosidase inhibitor: Kinetics and molecular dynamics simulation study
A series of novel pyrazole-phenyl semicarbazone derivatives were designed, synthesized, and saeened for in vitro alpha-glucosidase inhibitory activity. Given the importance of hydrogen bonding in promoting the aglucosidase inhibitory activity, pharmacophore modification was established. The docking results rationalized the idea of the design. All newly synthesized compounds exhibited excellent in vitro yeast alpha-glucosidase inhibition (IC50 values in the range of 65.1-695.0 mu M) even much more potent than standard drug acarbose (IC50 = 750.0 mu M). Among them, compounds 8o displayed the most potent alpha-glucosidase inhibitory activity (IC50 = 65.1 +/- 0.3 mu M). Kinetic study of compound 8o revealed that it inhibited alpha-glucosidase in a competitive mode (Ki = 87.0 mu M). Limited SAR suggested that electronic properties of substitutions have little effect on inhibitory potential of compounds. Cytotoxic studies demonstrated that the active compounds (8o, 8k, 8p, 8l, 8i, and 8a) compounds are also non-cytotoxic. The binding modes of the most potent compounds 8o, 8k, 8p, 8l and 8i was studied through in silica docking studies. Molecular dynamic simulations have been performed in order to explain the dynamic behavior and structural changes of the systems by the calculation of the root mean square deviation (RMSD) and root mean square fluctuation (RMSF). (C) 2020 Published by Elsevier B.V.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 176969-34-9, in my other articles. Quality Control of 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid.
Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics