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Pathumwadee Yotmanee. Theoretical evaluation of novel racemic tetrahydrocurcuminiod dihydropyrimidione (THC-DHPM) analogues as promising acetylcholinesterase inhibitor. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2016.
Theoretical evaluation of novel racemic tetrahydrocurcuminiod dihydropyrimidione (THC-DHPM) analogues as promising acetylcholinesterase inhibitor
Name: Kanokporn Lehboon
Organization :
Ramkhamhaeng University. Faculty of Science
Name: Pathumwadee Yotmanee
Organization :
Ramkhamhaeng University. Faculty of Science
Email :
pathumwadeei@gmail.com
LCSH:
Alzheimer's disease
-- Treatment
Abstract:
Alzheimers disease (AD) caused by low level of acetylcholine (ACh) that can be
enhanced by inhibiting the activities of acetylcholinesterase (AChE) enzymes. Curcuminiods
is recently discover possessing biological anti-Alzheimer's activity. The present study
investigated hAChE inhibitory activities of the synthesized of novel racemic
tetrahydrocurcumidniod dihydropyrimidione (THC-DHPM) analogues, curcuminiod
derivatives, using Molecular Docking and Molecular Dynamic Simulations techniques. The
molecular docking was performed to find the suitable starting AChE-ligand complex and MD
simulation was used to refine structure for calculating MM/PBSA binding energy. The higher
correlation of binding energy and experimental activity was obtained by using MD approach.
The lowest MM/PBSA binding energy was found between compound 19 of THC-DHPM
analogue and AChE of which the binding contribution was obtained from a large amount of
hydrophobic residues interaction at peripheral anionic site (PAS). This result suggests that the
combination of THC-DHPM analogue can be used as the scaffold to explore the enhancing
potent inhibitor of anti AChE enzyme
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2016
Modified:
2023-01-09
Issued:
2023-01-09
บทความ/Article
application/pdf
BibliograpyCitation :
In Chemical Society of Thailand under the Patronage of Professor Dr. HRH Princess Chulabhorn and Chulalongkorn University Faculty of science. Pure and Applied Chemistry International Conference (PACCON 2016) (pp.1387-1394). Bangkok : Chemical Society of Thailand under the Patronage of Professor Dr. HRH Princess Chulabhorn
eng
©copyrights King Mongkut's University of Technology North Bangkok
RightsAccess:
ใช้เวลา
0.0479 วินาที
Kanokporn Lehboon
| Title | Contributor | Type |
|---|---|---|
| Theoretical evaluation of novel racemic tetrahydrocurcuminiod dihydropyrimidione (THC-DHPM) analogues as promising acetylcholinesterase inhibitor
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Kanokporn Lehboon;Pathumwadee Yotmanee | บทความ/Article | |
| Design, synthesis, biological evaluation and docking study of piperine derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Kanokporn Lehboon;Vachiraporn Ajavakom;Pathumwadee Yotmanee | บทความ/Article |
Pathumwadee Yotmanee
| Title | Contributor | Type |
|---|---|---|
| Theoretical evaluation of novel racemic tetrahydrocurcuminiod dihydropyrimidione (THC-DHPM) analogues as promising acetylcholinesterase inhibitor
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Kanokporn Lehboon;Pathumwadee Yotmanee | บทความ/Article | |
| Design, synthesis, biological evaluation and docking study of piperine derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Kanokporn Lehboon;Vachiraporn Ajavakom;Pathumwadee Yotmanee | บทความ/Article |