Publication:
Molecular Docking of Natural Alkaloids with Bcl-xL Protein in The Apoptosis Process

Simple item page
dc.contributor.authorNoraziah Nordin
dc.contributor.authorWan Noraini Wan Sulaiman
dc.contributor.authorMarjanu Hikmah Elias
dc.date.accessioned2024-10-15T07:46:08Z
dc.date.available2024-10-15T07:46:08Z
dc.date.issued2024-10-08
dc.descriptionMalaysian Journal of Science Health & Technology, Volume 10 Issue 2 Page (139–146)
dc.description.abstractBackground: The anti-apoptotic protein Bcl-xL is a viable target for cancer therapy due to its critical role in cancer formation and resistance to chemotherapy. Insights into Bcl-xL’s role have spurred the development of a new category of cancer drugs called Bcl-xL inhibitors, which mimic the BH3-only protein to cause apoptosis. It could be initiated using alkaloids, owing to their remarkable biological characteristics. Alkaloids, among the biggest obtainable from plants, possess a distinctive structure characterized by the presence of a nitrogen atom in various positions within the molecule. Objective: In the current study, the potential of various alkaloids as Bcl-xL inhibitors was investigated through a molecular docking study. Methods: AutoDock Vina software was used to perform docking simulations of the alkaloids. Results: Ten alkaloids/Bcl-xL protein complexes demonstrated strong binding affinities less than -8.0 kcal/mol-1. These complexes include phaenthine (26), 4,5-Dioxoaporphine (1), anonaine (2), atherospermidine (4), limacine (14), liriodenine (16), monomargine (18), ouregidione (24), oxostephanine (25), and taliscanine (29) as the ligand of Bcl-xL protein. Notably, the complexes of Bcl-xL/dicentrinone (10), ouregidione (24), stepharine (28), and taliscanine (29) displayed three to four hydrogen bonds along with hydrophobic contacts. Conclusion: These results suggest that certain alkaloids could act as potential Bcl-xL inhibitors, mimicking BH3-only proteins and thereby potentially triggering apoptosis during cancer treatment
dc.identifier.citationNoraziah Nordin, Wan Noraini Wan Sulaiman, & Marjanu Hikmah Elias. (2024). Molecular Docking of Natural Alkaloids with Bcl-xL Protein in The Apoptosis Process. Malaysian Journal of Science Health & Technology, 10(2), 139–146. https://doi.org/10.33102/mjosht.v10i2.406
dc.identifier.doi10.33102/mjosht.v10i2.406
dc.identifier.urihttps://mjosht.usim.edu.my/index.php/mjosht/article/view/406/233
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/23570
dc.language.isoen_US
dc.publisherUniversiti Sains Islam Malaysia
dc.relation.ispartofMalaysian Journal of Science Health & Technology
dc.relation.issn2601-0003
dc.subjectBcl-xL protein
dc.subjectAlkaloids
dc.subjectDocking
dc.subjectAutoDock Vina
dc.subjectcancer chemotherapy
dc.titleMolecular Docking of Natural Alkaloids with Bcl-xL Protein in The Apoptosis Process
dc.typetext::journal::journal article::research article
dspace.entity.typePublication
oaire.citation.endPage146
oaire.citation.issue2
oaire.citation.startPage139
oaire.citation.volume10
oairecerif.author.affiliationUniversiti Sains Islam Malaysia
oairecerif.author.affiliationUniversiti Sains Islam Malaysia
oairecerif.author.affiliationUniversiti Sains Islam Malaysia

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Molecular Docking of Natural Alkaloids with Bcl-xL Protein in The Apoptosis Process.pdf
Size:
439.22 KB
Format:
Adobe Portable Document Format
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed to upon submission
Description:
Download

Collections

Malaysian Journal of Science, Health & Technology (MJoSHT)