Theoretical study of the interaction of IRMOF-1 (MOF-5) with Valine, Alanine, and Norleucine amino acids

• Main Authors: Moyosore, Abdullahi, Ahmad, Haslina, Abdel Malek, Emilia, Jumbri, Khairulazhar, Abdullah, Nor Ain Fathihah
• Format: Article
• Published: Global Scientific Journal 2022
• Online Access: http://psasir.upm.edu.my/id/eprint/103653/; https://www.globalscientificjournal.com/journal_volume10_issue6_June_2022_edition_p7.html

We have investigated by density functional theory the interaction of representative amino acids such as valine (Val), alanine (Ala) and norleucine (Nle) with a suitably functionalized organic linker of the IRMOF-1 (MOF-5) metal-organic framework. The binding energy value of -8.19 kcal/mol, -9.32 kc...