Psoralenol
Psoralenol is a binder with strong binding affinity for ACTB and AKT1. Psoralenol forms stable complexes with ACTB and AKT1 through hydrogen bonding and protein interactions. Psoralenol exhibits larvicidal activity against brine shrimp. Psoralenol inhibits methicillin-resistant Staphylococcus aureus, Vibrio parahaemolyticus, Candida albicans, and Pseudomonas aeruginosa. Psoralenol can be used in research related to chronic obstructive pulmonary disease, bacterial infections, and fungal infections.
商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。
- CAS 番号: 70522-30-4
- 分子式: C20H18O5
- 分子量:338.35
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保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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生物活性
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化学情報
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
生物活性
製品説明
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ACTB |
Akt1/PKBα |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| A549 | IC50 |
10 μM
Compound: 13
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Cytotoxicity against human A549 cells after 48 hrs by MTT assay
Cytotoxicity against human A549 cells after 48 hrs by MTT assay
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[PMID: 25710081] |
| K562 | IC50 |
10 μM
Compound: 13
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Cytotoxicity against human K562 cells after 48 hrs by MTT assay
Cytotoxicity against human K562 cells after 48 hrs by MTT assay
|
[PMID: 25710081] |
体外実験
Psoralenol binds strongly to human ACTB (binding energy = -10.8 kcal/mol) and moderately strongly to human AKT1 (binding energy = -7.9 kcal/mol) in silico, indicating stable ligand-protein interactions[1].
Psoralenol (100 ns) in complex with human ACTB and human AKT1 exhibits high conformational stability over 100 ns molecular dynamics simulations, characterized by stable RMSD, Rg, and SASA profiles, consistent hydrogen bonding, and minimal fluctuations in binding pocket residues[1].
Psoralenol does not exhibit significant acetylcholinesterase inhibitory activity, with an IC50 greater than 102.4 µM[2].
Psoralenol does not exhibit significant DPPH free radical scavenging activity, with an EC50 greater than 102.4 µM[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
化学情報
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CAS 番号 70522-30-4
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分子量 338.35
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分子式 C20H18O5
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SMILES
O=C1C(C2=CC=C(OC(C)([C@H](C3)O)C)C3=C2)=COC4=CC(O)=CC=C41
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Structure Classification
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Initial Source
Aspergillus terreus
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Please store the product under the recommended conditions in the Certificate of Analysis.
純度とドキュメンテーション
参考文献
[1]. Li W, et al. Exploring the mechanism of guben kechuan granules in the treatment of COPD via network pharmacology, molecular docking and molecular dynamics simulations. Scientific reports. 2025 Nov 21;15(1):41391. [Content Brief]
[2]. Yang JM, et al. An anti-inflammatory isoflavone from soybean inoculated with a marine fungus Aspergillus terreus C23-3. Biosci Biotechnol Biochem. 2020 Aug;84(8):1546-1553. [Content Brief]
Calculators
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
Psoralenol 関連分類
HY-N19906 関連分類
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