In our former work (Indian J Phys., 93(9):1113-1122 (2019)), utilizing Density Functional Theory (DFT), some essential features of 3-Amino-4-(Boc-amino) pyridine (Henceforth referred to as the resolved molecule) were investigated, containing its molecular arithmetic, electronic properties, vibrational repetitions, and nonlinear optical accomplishment. In this study, the molecular docking study is likewise carried out to investigate protein-ligand interplays between the analyzed fragment and the target protein amyotrophic sideways sclerosis. The findings shows that the lowest separation energy for the analyzed molecule is -5.25 Kcal/mol. By contingent upon docking results, the analyzed particle could be an productive drug candidate for amyotrophic lateral sclerosis.
Author(s) Details:
Hatice Vural,
Faculty
of Engineering, University of Amasya, 05189, Amasya, Türkiye.
Telhat
Özdogan,
Faculty
of Education, University of Amasya, 05189, Amasya, Türkiye.
Metin Orbay,
Faculty of Education, University of Amasya, 05189, Amasya, Türkiye.
Please see the link here: https://stm.bookpi.org/CTEICS-V1/article/view/11128
No comments:
Post a Comment