Stability Analysis of the Asiatic Acid-COX-2 Complex Using 100 ns Molecular Dynamic Simulations and Its Selectivity against COX-2 as a Potential Anti-Inflammatory Candidate
Asiatic acid, a triterpenoid compound, has been shown to have anti-inflammatory activity through the inhibition of the formation of cyclooxygenase-2 (COX-2) in vitro and in vivo. This study was conducted to determine the binding stability and the inhibitory potential of asiatic acid as an anti-infla...
| Published in: | Molecules |
|---|---|
| Main Authors: | Ida Musfiroh, Rahmana E. Kartasasmita, Slamet Ibrahim, Muchtaridi Muchtaridi, Syahrul Hidayat, Nur Kusaira Khairul Ikram |
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-04-01
|
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/9/3762 |
Similar Items
In Silico Analyses and Cytotoxicity Study of Asiaticoside and Asiatic Acid from Malaysian Plant as Potential mTOR Inhibitors
by: Ninie Nadia Zulkipli, et al.
Published: (2020-09-01)
by: Ninie Nadia Zulkipli, et al.
Published: (2020-09-01)
Flavonoids: Antiplatelet Effect as Inhibitors of COX-1
by: Cristina Zaragozá, et al.
Published: (2022-02-01)
by: Cristina Zaragozá, et al.
Published: (2022-02-01)
Protective Effect of Antioxidants in Nitric Oxide/COX-2 Interaction during Inflammatory Pain: The Role of Nitration
by: Sara Ilari, et al.
Published: (2020-12-01)
by: Sara Ilari, et al.
Published: (2020-12-01)
Synthesis, molecular docking evaluation for LOX and COX-2 inhibition and determination of in-vivo analgesic potentials of aurone derivatives
by: Muhammad Ikram, et al.
Published: (2024-05-01)
by: Muhammad Ikram, et al.
Published: (2024-05-01)
FXR Activation Accelerates Early Phase of Osteoblast Differentiation Through COX-2-PGE<sub>2</sub>-EP4 Axis in BMP-2-Induced Mouse Mesenchymal Stem Cells
by: Ko Fujimori, et al.
Published: (2024-12-01)
by: Ko Fujimori, et al.
Published: (2024-12-01)
CCN2 Mediates S1P-Induced Upregulation of COX2 Expression in Human Granulosa-Lutein Cells
by: Liao-Liao Hu, et al.
Published: (2019-11-01)
by: Liao-Liao Hu, et al.
Published: (2019-11-01)
A small amount of cyclooxygenase 2 (COX2) is constitutively expressed in platelets
by: Qianghua Hu, et al.
Published: (2017-01-01)
by: Qianghua Hu, et al.
Published: (2017-01-01)
Cox1 mutation abrogates need for Cox23 in cytochrome c oxidase biogenesis
by: Richard Dela Cruz, et al.
Published: (2016-06-01)
by: Richard Dela Cruz, et al.
Published: (2016-06-01)
Survival analysis of Kasturi tobacco plants in Jember district using the stratified cox and extended cox models.
by: Angga Iryanto Pratama, et al.
Published: (2025-06-01)
by: Angga Iryanto Pratama, et al.
Published: (2025-06-01)
Modul de productie asiatic – dezbateri teoretice
by: Valentin Quintus NICOLESCU
Published: (2016-12-01)
by: Valentin Quintus NICOLESCU
Published: (2016-12-01)
Identification of N-Acetyldopamine Dimers from the Dung Beetle Catharsius molossus and Their COX-1 and COX-2 Inhibitory Activities
by: Juan Lu, et al.
Published: (2015-08-01)
by: Juan Lu, et al.
Published: (2015-08-01)
[Luigi Ferdinando Marsili and the asiatic drink]
by: Alessio Argentieri, et al.
Published: (2025-04-01)
by: Alessio Argentieri, et al.
Published: (2025-04-01)
Design and synthesis of pyridazinone hybrid in PEG-400 as COX-1/COX-2 inhibitor and their antioxidant study
by: Omprakash B. Pawar, et al.
Published: (2025-06-01)
by: Omprakash B. Pawar, et al.
Published: (2025-06-01)
Upregulation of COX4-2 via HIF-1α in Mitochondrial COX4-1 Deficiency
by: Liza Douiev, et al.
Published: (2021-02-01)
by: Liza Douiev, et al.
Published: (2021-02-01)
Reassessment of the benefit/risk-ratio of selective COX-2-inhibitors
by: U Klotz
Published: (2005-03-01)
by: U Klotz
Published: (2005-03-01)
The roles of COX-2 in protozoan infection
by: Xinlei Wang, et al.
Published: (2023-02-01)
by: Xinlei Wang, et al.
Published: (2023-02-01)
POLYPHENOLIC WEALTHY MORINGA LEAVES EXTRACTS AS ANTICOXSACKIE B VIRUSES (COX-BV)
by: Naglaa Saif, et al.
Published: (2019-03-01)
by: Naglaa Saif, et al.
Published: (2019-03-01)
Cyclooxygenase-2 (COX-2) Expression in Equine Melanocytic Tumors
by: José Pimenta, et al.
Published: (2024-02-01)
by: José Pimenta, et al.
Published: (2024-02-01)
COX-2 selective inhibitors - they are still the best treatment for many patients!
by: K Brune
Published: (2005-03-01)
by: K Brune
Published: (2005-03-01)
Exploring the role of COX-2 in Alzheimer's disease: Potential therapeutic implications of COX-2 inhibitors
by: Nathalie Moussa, et al.
Published: (2023-09-01)
by: Nathalie Moussa, et al.
Published: (2023-09-01)
Molecular Interaction Analysis of Homodihydrocapsaicin as COX-2 Inhibitor
by: Maria Nona Elci Lele, et al.
Published: (2022-06-01)
by: Maria Nona Elci Lele, et al.
Published: (2022-06-01)
Optimization of Eugenol, Camphor, and Terpineol Mixture Using Simplex-Centroid Design for Targeted Inhibition of Key Antidiabetic Enzymes
by: Amine Elbouzidi, et al.
Published: (2025-07-01)
by: Amine Elbouzidi, et al.
Published: (2025-07-01)
Synthesis and Optimization of Mesoporous Silica Nanoparticles for Ruthenium Polypyridyl Drug Delivery
by: Siti Norain Harun, et al.
Published: (2021-01-01)
by: Siti Norain Harun, et al.
Published: (2021-01-01)
Evaluation of Cx43 Gap Junction Inhibitors Using a Quantitative Structure-Activity Relationship Model
by: Ramona Matusevičiūtė, et al.
Published: (2023-07-01)
by: Ramona Matusevičiūtė, et al.
Published: (2023-07-01)
SiCoDEA: A Simple, Fast and Complete App for Analyzing the Effect of Individual Drugs and Their Combinations
by: Giulio Spinozzi, et al.
Published: (2022-06-01)
by: Giulio Spinozzi, et al.
Published: (2022-06-01)
Immunohistochemical Expression of COX2 in Urothelial Carcinoma of the urinary bladder
by: Shayan Khattab Omer, et al.
Published: (2024-12-01)
by: Shayan Khattab Omer, et al.
Published: (2024-12-01)
Asiatic acid inhibits HBV cccDNA transcription by promoting HBx degradation
by: Ranran Li, et al.
Published: (2024-10-01)
by: Ranran Li, et al.
Published: (2024-10-01)
Neuroprotective mechanisms of Asiatic acid
by: Liuyun Ding, et al.
Published: (2023-05-01)
by: Liuyun Ding, et al.
Published: (2023-05-01)
In vivo toxicity of chitosan-based nanoparticles: a systematic review
by: Shela Salsabila, et al.
Published: (2025-12-01)
by: Shela Salsabila, et al.
Published: (2025-12-01)
Cox-Based and Elliptical Telegraph Processes and Their Applications
by: Anatoliy Pogorui, et al.
Published: (2023-07-01)
by: Anatoliy Pogorui, et al.
Published: (2023-07-01)
Quantitative IC<sub>50</sub> Analysis of Puromycin-Induced Cytotoxicity in NIH/3T3 Cells Using a Multi-Well Array Impedance Biosensor
by: Seok-kyu Kim, et al.
Published: (2025-09-01)
by: Seok-kyu Kim, et al.
Published: (2025-09-01)
Verification of the Conditions for Determination of Antioxidant Activity by ABTS and DPPH Assays—A Practical Approach
by: Rafał Wołosiak, et al.
Published: (2021-12-01)
by: Rafał Wołosiak, et al.
Published: (2021-12-01)
Breast Cancer Treatment: The Case of Gold(I)-Based Compounds as a Promising Class of Bioactive Molecules
by: Rossana Galassi, et al.
Published: (2022-01-01)
by: Rossana Galassi, et al.
Published: (2022-01-01)
The Biological Fate of a Novel Anticancer Drug Candidate TNBG-5602: Metabolic Profile, Interaction with CYP450, and Pharmacokinetics in Rats
by: Rui Li, et al.
Published: (2022-04-01)
by: Rui Li, et al.
Published: (2022-04-01)
Ketone Bodies Induce Unique Inhibition of Tumor Cell Proliferation and Enhance the Efficacy of Anti-Cancer Agents
by: Anna I. Miller, et al.
Published: (2023-09-01)
by: Anna I. Miller, et al.
Published: (2023-09-01)
Drug Candidates for the Treatment of Alzheimer’s Disease: New Findings from 2021 and 2022
by: Sujatha L. Motebennur, et al.
Published: (2023-07-01)
by: Sujatha L. Motebennur, et al.
Published: (2023-07-01)
Cyclooxygenase-2(COX-2) Expression in Lymphoma in North-West of Iran
by: Seyyed Hadi Chavoshi, et al.
Published: (2013-01-01)
by: Seyyed Hadi Chavoshi, et al.
Published: (2013-01-01)
Cyclooxygenase-2 (COX-2) expression in lymphoma in north-west of Iran
by: Zohreh Sanaat, et al.
Published: (2013-03-01)
by: Zohreh Sanaat, et al.
Published: (2013-03-01)
Protection Effect of Self-Nanoemulsifying Drug Delivery System (SNEDDS) Piroxicam as Ulcerogenic Agent towards Malondialdehid Level and Protein Expression of Caspase-3, COX-1, COX-2 at Rat Gastric
by: Iis Wahyuningsih, et al.
Published: (2020-07-01)
by: Iis Wahyuningsih, et al.
Published: (2020-07-01)
Triterpenoids from Ainsliaea latifolia and Their Cyclooxyenase-2 (COX-2) Inhibitory Activities
by: Wen-Lin Yuan, et al.
Published: (2019-11-01)
by: Wen-Lin Yuan, et al.
Published: (2019-11-01)
Similar Items
-
In Silico Analyses and Cytotoxicity Study of Asiaticoside and Asiatic Acid from Malaysian Plant as Potential mTOR Inhibitors
by: Ninie Nadia Zulkipli, et al.
Published: (2020-09-01) -
Flavonoids: Antiplatelet Effect as Inhibitors of COX-1
by: Cristina Zaragozá, et al.
Published: (2022-02-01) -
Protective Effect of Antioxidants in Nitric Oxide/COX-2 Interaction during Inflammatory Pain: The Role of Nitration
by: Sara Ilari, et al.
Published: (2020-12-01) -
Synthesis, molecular docking evaluation for LOX and COX-2 inhibition and determination of in-vivo analgesic potentials of aurone derivatives
by: Muhammad Ikram, et al.
Published: (2024-05-01) -
FXR Activation Accelerates Early Phase of Osteoblast Differentiation Through COX-2-PGE<sub>2</sub>-EP4 Axis in BMP-2-Induced Mouse Mesenchymal Stem Cells
by: Ko Fujimori, et al.
Published: (2024-12-01)
