The Potency of Secondary Metabolites in Dracaena an-gustifolia for Cyclooxygenase-2 (Cox-2) Inhibitors for The Treatment of Inflammation Disease: An In-Silico Study

DOI

10.2991/978-94-6463-324-5_19How to use a DOI?

Keywords

COX-2 Inhibitor; Dracaena Angustifolia; Anti-Inflammatory; Molecular Docking

Abstract

Cyclooxygenase-2 (COX-2) plays a critical role in the development of colorectal carcinoma (CRC) and serves as a primary target for reversing colorectal tumorigenesis through the utilization of nonsteroidal anti-inflammatory drugs. The plant Dracaena angustifolia has been researched for its potential anti-inflammatory compounds found in its leaves, stem bark, and root bark. This research involved the extraction of leaves, stem bark, and root bark from D. angustifolia using methanol as the solvent. The findings of the study revealed variations in the content of flavonoids and total phenols among these extracted components, with the stem bark showing the highest concentration. Additionally, as part of the ongoing doctoral research conducted by the first author, the study incorporated in silico analyses that encompassed molecular docking simulations of multiple compounds naturally occurring in this plant. These compounds include drangustosides A; (R)-2-(3-hydroxy-5-methoxyphenyl)-5-methoxy-8-methylchroman-7-ol; 5,7-dihydroxy-3-(4-hydroxybenzyl)-8-methyl-4H-chromen-4-one; 5,7-dihydroxy-3-(4-hydroxybenzyl)-4H-chromen-4-one; and namonin A, which were evaluated against the COX-2 protein target. Their binding affinities and types of interactions were compared with COX-2 inhibitors such as celecoxib, rofecoxib, and valdecoxib, as well as classical NSAIDs like aspirin, ibuprofen, and indomethacin. As a result, molecular docking indicated that these five compounds have favorable binding affinity energies and exhibit binding site similarity with commonly used drugs. Therefore, these compounds have the potency to act as anti-inflammatory agents targeting COX-2.

Copyright

© 2023 The Author(s)

Open Access

Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

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TY  - CONF
AU  - I Wayan Karta
AU  - Warsito Warsito
AU  - Masruri Masruri
AU  - I. Wayan Mudianta
PY  - 2023
DA  - 2023/12/23
TI  - The Potency of Secondary Metabolites in Dracaena an-gustifolia for Cyclooxygenase-2 (Cox-2) Inhibitors for The Treatment of Inflammation Disease: An In-Silico Study
BT  - Proceedings of the 6th International Conference of Health Polytechnic Surabaya (ICoHPS 2023)
PB  - Atlantis Press
SP  - 175
EP  - 186
SN  - 2468-5739
UR  - https://doi.org/10.2991/978-94-6463-324-5_19
DO  - 10.2991/978-94-6463-324-5_19
ID  - Karta2023
ER  -