Synthesis, Spectral Characterization, Thermal Investigation, Computational Studies, Molecular Docking, and In Vitro Biological Activities of a New Schiff Base Derived from 2-Chloro Benzaldehyde and 3,3'-Dimethyl-[1,1'-biphenyl]-4,4'-diamine.
| Autor: | Thakor PM; Department of Chemistry, Shri Alpesh N. Patel Post Graduate Institute of Science and Research, Anand 388001, Gujarat, India., Patel RJ; Department of Chemistry, Shri Alpesh N. Patel Post Graduate Institute of Science and Research, Anand 388001, Gujarat, India., Giri RK; P. G. Department of Physics, Sardar Patel University, Vallabh Vidyanagar 388120, Gujarat, India., Chaki SH; P. G. Department of Physics, Sardar Patel University, Vallabh Vidyanagar 388120, Gujarat, India., Khimani AJ; Department of Physics, Shri Alpesh N. Patel Post Graduate Institute of Science and Research, Anand 388001, Gujarat, India., Vaidya YH; Department of Microbiology, Shri Alpesh N. Patel Post Graduate Institute of Science and Research, Anand 388001, Gujarat, India., Thakor P; B. D. Patel Institute of Paramedical Sciences, Charotar University of Science and Technology, CHARUSAT campus, Changa 388421, Gujarat, India., Thakkar AB; P. G. Department of Biosciences and P. G. Department of Applied and Interdisciplinary Sciences, Sardar Patel University, Anand 388120, Gujarat, India., Patel JD; Department of Chemistry, Shri Alpesh N. Patel Post Graduate Institute of Science and Research, Anand 388001, Gujarat, India. |
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| Jazyk: | angličtina |
| Zdroj: | ACS omega [ACS Omega] 2023 Aug 25; Vol. 8 (36), pp. 33069-33082. Date of Electronic Publication: 2023 Aug 25 (Print Publication: 2023). |
| DOI: | 10.1021/acsomega.3c05254 |
| Abstrakt: | The current research involves the synthesis of a new Schiff base through the reaction between 2-chlorobenzaldehyde and 3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine by using a natural acid catalyst and a synthesized compound physicochemically characterized by X-ray diffraction, Fourier transform infrared spectroscopy, 1 H- and 13 C-nuclear magnetic resonance, and liquid chromatography-mass spectrometry. Thermal studies were conducted using thermogravimetric, differential thermal analysis, and differential thermogravimetric curves. These curves were obtained in an inert nitrogen environment from ambient temperature to 1263 K using heating rates of 10, 15, and 20 K·min -1 . Using thermocurve data, model-free isoconversional techniques such as Kissinger-Akahira-Sunose, Flynn-Wall-Ozawa, and Friedman are used to determine kinetic parameters. These parameters include activation energy, phonon frequency factor, activation enthalpy, activation entropy, and Gibb's free energy change. All of the results have been thoroughly investigated. The molecule's anti-inflammatory and antidiabetic properties were also examined. To learn more about the potential of the Schiff base and how successfully it can suppress the amylase enzyme, a molecular docking experiment was also conducted. For in silico research, the Swiss Absorption, Distribution, Metabolism, Excretion, and Toxicity algorithms were used to calculate the theoretical pharmacokinetic properties, oral bioavailability, toxic effects, and biological activities of the synthesized molecule. Moreover, the cytotoxicity tests against a human lung cancer cell line (A549) using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay demonstrated that the synthesized Schiff base exhibited significant anticancer properties. Competing Interests: The authors declare no competing financial interest. (© 2023 The Authors. Published by American Chemical Society.) |
| Databáze: | MEDLINE |
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