A NEW ORGANIC COMPOUND WITH MEDICINAL AND COMPUTATIONAL APPROACHES: 2-(((2-BROMOPHENYL)IMINO)METHYL)-4-NITROPHENOL
Songül Şahin, Necmi Dege
Pages: 54-63
Published: 17 Dec 2024
DOI: 10.62991/MMT1996578782
Views: 421
Downloads: 45
Abstract: In this study, a Schiff base compound named 2-(((2 bromophenyl)imino)methyl)-4-nitrophenol was synthesized and characterized by X-ray diffraction spectroscopy. The synthesized compound was studied to reveal its molecular structure and interactions, electronic properties, physicochemical, pharmacokinetic and medicinal properties. Potential biological targets for bimolecular activity were also determined, and docking studies were performed on the identified targets. The title compound showed high binding efficacy to tankyrase-2, a transferase enzyme. The calculated docking score of the complex with the title compound was found to be -9.158 kcal.mol-1 . In addition, the title compound was found to be a potent ligand for several targets, including secretase, hydrolase, kinase, transferase, HCV, influenza, and tuberculosis.
Keywords: brominated schiff base, dft, docking, adme, fmos
Cite this article: Songül Şahin, Necmi Dege. A NEW ORGANIC COMPOUND WITH MEDICINAL AND COMPUTATIONAL APPROACHES: 2-(((2-BROMOPHENYL)IMINO)METHYL)-4-NITROPHENOL. Journal of International Scientific Publications: Materials, Methods & Technologies 18, 54-63 (2024). https://doi.org/10.62991/MMT1996578782
Back to the contents of the volume
© 2025 The Author(s). This is an open access article distributed under the terms of the
Creative Commons Attribution License https://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. This permission does not cover any third party copyrighted material which may appear in the work requested.
Disclaimer: The Publisher and/or the editor(s) are not responsible for the statements, opinions, and data contained in any published works. These are solely the views of the individual author(s) and contributor(s). The Publisher and/or the editor(s) disclaim any liability for injury to individuals or property arising from the ideas, methods, instructions, or products mentioned in the content.
