Citation
Moyosore, Abdullahi and Ahmad, Haslina and Abdel Malek, Emilia and Jumbri, Khairulazhar and Abdullah, Nor Ain Fathihah
(2022)
Theoretical study of the interaction of IRMOF-1 (MOF-5) with Valine, Alanine, and Norleucine amino acids.
International Journal of Advance Research, 10 (6).
1748 - 1758.
ISSN 2320-9186
Abstract
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 kcal/mol, and -5.64 kcal/mol were obtained via molecular docking for Val-MOF5, Ala-MOF-5, and Nle-MOF-5 complexes, respectively. Also, the intermolecular energy value and internal energy value for each of the complexes were found to very low, confirming their high stabilities and strong bonding between MOF-5 and the amino acids. This is very promising for possible pharmaceutical applications of MOF-5.
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Additional Metadata
| Item Type: | Article |
|---|---|
| Divisions: | Faculty of Science |
| Publisher: | Global Scientific Journal |
| Keywords: | MOF-5; Valine; Alanine; Norleucine; Docking |
| Depositing User: | Ms. Nuraida Ibrahim |
| Date Deposited: | 12 May 2023 07:09 |
| Last Modified: | 12 May 2023 07:09 |
| URI: | http://psasir.upm.edu.my/id/eprint/103653 |
| Statistic Details: | View Download Statistic |
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