Potential inhibitory activities of phytoconstituents in Salvia miltiorrhiza against coronary heart disease drug targets using docking and ADMET studies

Thi Thuy Duong Man 1
, 
Long Nguyen Ngoc 2
, 
Hai Son Pham 3
, 
Thi Hoai Van Tran 4
, 
Long Giang Bach 5
, 
Pham Quoc Long 6
, 
Ha Viet Hai 7
, 
Tien Lam Do 7
, 
Hong Minh Pham Thi 7
, 
Thị Thùy Hương Lê 8
1
 
2
 
Faculty of Chemistry and Environment, Thuy Loi University
3
 
4
 
Vietnam University of Traditional Medicine, Ministry of Health
5
 
6
 
7
 
Institute of Natural Products Chemistry
8
 
Institure of Natural Products Chemistry
Тип публикации: Journal Article
Дата публикации: 2024-03-01
Publishing House for Science and Technology, Vietnam Academy of Science and Technology (Publications)
scimago Q4
SJR: 0.147
CiteScore: 0.6
Impact factor: —
ISSN: 25252518, 28155874, 0866708X
Краткое описание

Coronary heart disease (CHD) is one of the leading causes of death worldwide. The effectiveness of the current drugs is still restricted due to high side effects; thus, it is urgently needed to discover novel compounds for drug development. In the field of drug discovery research, the main target receptors for chemotherapy are identified as ACE, PPAR-γ, HMGR, COX-2, and thrombin. In this study, docking simulations were performed for phytoconstituents of Salvia miltiorrhiza Bunge in searching for compounds with potential inhibitory activities against these proteins. As a result, six compounds were suggested as potential multitarget inhibitors and could be considered for further drug development studies based on docking conformation and ADMET property analysis.

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Man T. T. D. et al. Potential inhibitory activities of phytoconstituents in Salvia miltiorrhiza against coronary heart disease drug targets using docking and ADMET studies // Vietnam Journal of Science and Technology. 2024.
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Man T. T. D., Nguyen Ngoc L., Pham H. S., Tran T. H. V., Bach L. G., Long P. Q., Viet Hai H., Do T. L., Pham Thi H. M., Lê T. T. H. Potential inhibitory activities of phytoconstituents in Salvia miltiorrhiza against coronary heart disease drug targets using docking and ADMET studies // Vietnam Journal of Science and Technology. 2024.
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TY - JOUR
DO - 10.15625/2525-2518/18215
UR - https://doi.org/10.15625/2525-2518/18215
TI - Potential inhibitory activities of phytoconstituents in Salvia miltiorrhiza against coronary heart disease drug targets using docking and ADMET studies
T2 - Vietnam Journal of Science and Technology
AU - Man, Thi Thuy Duong
AU - Nguyen Ngoc, Long
AU - Pham, Hai Son
AU - Tran, Thi Hoai Van
AU - Bach, Long Giang
AU - Long, Pham Quoc
AU - Viet Hai, Ha
AU - Do, Tien Lam
AU - Pham Thi, Hong Minh
AU - Lê, Thị Thùy Hương
PY - 2024
DA - 2024/03/01
PB - Publishing House for Science and Technology, Vietnam Academy of Science and Technology (Publications)
SN - 2525-2518
SN - 2815-5874
SN - 0866-708X
ER -
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@article{2024_Man,
author = {Thi Thuy Duong Man and Long Nguyen Ngoc and Hai Son Pham and Thi Hoai Van Tran and Long Giang Bach and Pham Quoc Long and Ha Viet Hai and Tien Lam Do and Hong Minh Pham Thi and Thị Thùy Hương Lê},
title = {Potential inhibitory activities of phytoconstituents in Salvia miltiorrhiza against coronary heart disease drug targets using docking and ADMET studies},
journal = {Vietnam Journal of Science and Technology},
year = {2024},
publisher = {Publishing House for Science and Technology, Vietnam Academy of Science and Technology (Publications)},
month = {mar},
url = {https://doi.org/10.15625/2525-2518/18215},
doi = {10.15625/2525-2518/18215}
}