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Nuttee Suree. In Silico study of SIRT1 inhibitors targeting HIV-1 gene transcription. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2020.
In Silico study of SIRT1 inhibitors targeting HIV-1 gene transcription
Name: Anocha Vongmanee
Organization :
Chiang Mai University. Faculty of Science
Name: Nuttee Suree
Organization :
Chiang Mai University. Faculty of Science
Email :
nuttee.suree@cmu.ac.th
keyword:
SIRT1
ThaSH:
Sirtuins
ThaSH:
HIV (Viruses)
-- Enzymes
ThaSH:
Biological control systems
ThaSH:
Genetic code
Abstract:
Sirtuins, a group of enzymes within class III histone deacetylases (HDACs), are found to play several important biological roles in diverse organisms covering from archaea to mammals. One of the most studies isoform is Sirtuin 1 (SIRT1), a nuclear protein able to deacetylate acetyl group on the target histone and non-histone proteins, thus controlling various biological processes epigenetically. SIRT1 also upregulates HIV-1 transcription by deacetylating HIV-1 transactivator (Tat), thus inducing viral genome transcription. Inhibition of SIRT1 leads to an inefficient viral transcription and pathogenesis. In this work, molecular docking and virtual screening were employed to discover new drug-like compounds targeting SIRT1 and HIV-1 pathogenesis. A set of 3,177 small compounds from Selleck Chemicals library were virtually screened against SIRT1 structure (PDB ID: 4I5I). Evaluation of binding energy and ligand poses distinguished five hit compounds. All the hit compounds interact with the SIRT1 catalytic site predominantly through hydrophobic interactions and hydrogen bonding with the surrounding amino acid residues lining the active site cleft, including I270, P271, F297, I347, N346, and I411. Based on the analyses of pharmacophores and their key interactions with the SIRT1 protein, these hit compounds can be optimized further as promising candidates for inhibiting SIRT1 activity.
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2020
Modified:
2023-12-18
Issued:
2023-12-18
บทความ/Article
application/pdf
BibliograpyCitation :
In the Chemical Society of Thailand under the Patronage of Professor Dr. HRH Princess Chulabhorn in association, Thammasat University Faculty of Science and Technology. The Pure and Applied Chemistry International Conference 2020 (PACCON 2020) (CB88-94). Bangkok : Thammasat University
eng
©copyrights King Mongkut's University of Technology North Bangkok
RightsAccess:
ใช้เวลา
0.024986 วินาที
Anocha Vongmanee
| Title | Contributor | Type |
|---|---|---|
| In Silico study of SIRT1 inhibitors targeting HIV-1 gene transcription
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Anocha Vongmanee;Nuttee Suree | บทความ/Article |
Nuttee Suree
| Title | Contributor | Type |
|---|---|---|
| Membrane permeabilization of antimicrobial peptide nisin and its potential for cancer treatment
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Chanita Phetdee;Nuttee Suree;Panchika Prangkio | บทความ/Article | |
| In Silico study of SIRT1 inhibitors targeting HIV-1 gene transcription
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Anocha Vongmanee;Nuttee Suree | บทความ/Article | |
| Computational approaches for studying the effect of C7 functionality on binding affinity and dynamics of complexes formed between protein kinase C delta and its modulators
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Punyaporn Pongsuwan;Suriya Tateing;Nuttee Suree | บทความ/Article | |
| Characterization of immunoliposomes targeting CD4+ T lymphocytes
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Suthasinee Meeroekyai;Thanapak Jaimalai;Nuttee Suree;Panchika Prangkio | บทความ/Article |