Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl Cytosine
Methylation at C5 position of cytosine (5 mC) is the most abundantly occurring methylation process at CpG island, which has been well known as an epigenetic modification linked to many human diseases. Recently, another methylation approach has been discovered to show that DNA methyltransferases (DNM...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2022-01-01
|
| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2022/2673396 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832545891456647168 |
|---|---|
| author | Mansour H. Almatarneh Ghada G. Kayed Mohammednoor Altarawneh Yuming Zhao Amita Verma |
| author_facet | Mansour H. Almatarneh Ghada G. Kayed Mohammednoor Altarawneh Yuming Zhao Amita Verma |
| author_sort | Mansour H. Almatarneh |
| collection | DOAJ |
| description | Methylation at C5 position of cytosine (5 mC) is the most abundantly occurring methylation process at CpG island, which has been well known as an epigenetic modification linked to many human diseases. Recently, another methylation approach has been discovered to show that DNA methyltransferases (DNMTs) promote the addition of the methyl group at position 3 to yield 3 mC. The existence of 3 mC can cause severe damages to the DNA strand, such as blocking its replication, repair, and transcription, affecting its stability, and initiating a double-strand DNA break. To gain a deeper insight into the formation of 3 mC, we have performed density functional theory (DFT) modeling studies at different levels of theory to clearly map out the mechanistic details for this new methylation approach. Our computed results are in harmony with pertinent experimental observations and shed light on a crucial off-target activity of DNMTs. |
| format | Article |
| id | doaj-art-ecca44ae9f5b4755ac61093279ba83fb |
| institution | Kabale University |
| issn | 2090-9071 |
| language | English |
| publishDate | 2022-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-ecca44ae9f5b4755ac61093279ba83fb2025-02-03T07:24:27ZengWileyJournal of Chemistry2090-90712022-01-01202210.1155/2022/2673396Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl CytosineMansour H. Almatarneh0Ghada G. Kayed1Mohammednoor Altarawneh2Yuming Zhao3Amita Verma4Department of ChemistryDepartment of ChemistryDepartment of Chemical and Petroleum EngineeringDepartment of ChemistryDepartment of Pharmaceutical SciencesMethylation at C5 position of cytosine (5 mC) is the most abundantly occurring methylation process at CpG island, which has been well known as an epigenetic modification linked to many human diseases. Recently, another methylation approach has been discovered to show that DNA methyltransferases (DNMTs) promote the addition of the methyl group at position 3 to yield 3 mC. The existence of 3 mC can cause severe damages to the DNA strand, such as blocking its replication, repair, and transcription, affecting its stability, and initiating a double-strand DNA break. To gain a deeper insight into the formation of 3 mC, we have performed density functional theory (DFT) modeling studies at different levels of theory to clearly map out the mechanistic details for this new methylation approach. Our computed results are in harmony with pertinent experimental observations and shed light on a crucial off-target activity of DNMTs.http://dx.doi.org/10.1155/2022/2673396 |
| spellingShingle | Mansour H. Almatarneh Ghada G. Kayed Mohammednoor Altarawneh Yuming Zhao Amita Verma Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl Cytosine Journal of Chemistry |
| title | Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl Cytosine |
| title_full | Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl Cytosine |
| title_fullStr | Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl Cytosine |
| title_full_unstemmed | Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl Cytosine |
| title_short | Computational Insights in DNA Methylation: Catalytic and Mechanistic Elucidations for Forming 3-Methyl Cytosine |
| title_sort | computational insights in dna methylation catalytic and mechanistic elucidations for forming 3 methyl cytosine |
| url | http://dx.doi.org/10.1155/2022/2673396 |
| work_keys_str_mv | AT mansourhalmatarneh computationalinsightsindnamethylationcatalyticandmechanisticelucidationsforforming3methylcytosine AT ghadagkayed computationalinsightsindnamethylationcatalyticandmechanisticelucidationsforforming3methylcytosine AT mohammednooraltarawneh computationalinsightsindnamethylationcatalyticandmechanisticelucidationsforforming3methylcytosine AT yumingzhao computationalinsightsindnamethylationcatalyticandmechanisticelucidationsforforming3methylcytosine AT amitaverma computationalinsightsindnamethylationcatalyticandmechanisticelucidationsforforming3methylcytosine |