Synthesis, molecular structure and multiple biological activities of N-(3-methoxyphenyl)-3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide

A new molecule of pyridylpyrazole amide (PPA) was successfully synthesized and systematically characterized by using NMR, ESI-MS and absorption (FT-IR and UV-Vis) spectroscopic techniques. The UV-Vis spectral absorption and infrared frequencies were theoretically calculated and compared with observed results. The in vitro biological applications like anti-inflammatory, antioxidant and antidiabetic activities were performed. It exhibited admirable anti-inflammatory activity and antidiabetic, worthy antioxidant activities than standards. The interactions between enzyme-ligand were identified with alpha-amylase (1HNY.pdb) using the autodock tool. Further Potential energy scan, fukui function and molecular electrostatic potential (MEP) were performed using DFT methods. Finally, In silico pharmacological studies like ADME were implemented for PPA. (C) 2019 Elsevier B.V. All rights reserved.