Abstract | Background and purpose: Experimental approach: Homology modeling, protein docking, molecular dynamic simulation, and molecular dynamics trajectory analysis were used for the assessment of this interaction. Findings/Results: The results of the free energy analysis between reteplase and ATD (wild reteplase: -2127.516 ± 0.0, M1-chr: -1761.510 ± 0.0, M2-chr: -521.908 ± 0.0) showed lower interaction of this chimeric reteplase with ATD compared to the wild type. Conclusion and implications: The decreased interaction between two chimeric reteplase and ATD of NR1 subunit in NMDAR which leads to lower neurotoxicity related to these drugs, can be the start of a way to conduct more tests and if the results confirm this feature, they can be considered potential drugs in acute ischemic stroke treatment.
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Authors | Pardis Mohammadi Pour, Karim Mahnam, Mahsa Taherzadeh, Shahrzad Ahangarzadeh, Abbas Alibakhshi, Elmira Mohammadi |
Journal | Research in pharmaceutical sciences
(Res Pharm Sci)
2023 Jul-Aug
Vol. 18
Issue 4
Pg. 404-412
ISSN: 1735-5362 [Print] Iran |
PMID | 37614611
(Publication Type: Journal Article)
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Copyright | Copyright: © 2023 Research in Pharmaceutical Sciences. |