Exploring the Role of Alpinia officinarum against Acute Myeloid Leukemia using Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation
作者：
Shirani-Bidabadi, Shiva;Nekoeian, Shahram;Sheikholeslami, Mahsa
通讯作者：
Shirani-Bidabadi, S
作者机构：
Isfahan Univ Med Sci, Canc Prevent Res Ctr, Esfahan 8174673461, Iran.
Isfahan Univ Med Sci, Sch Pharm & Pharmaceut Sci, Dept Med Chem, Esfahan 8174673461, Iran.
通讯机构：
Isfahan Univ Med Sci, Canc Prevent Res Ctr, Esfahan 8174673461, Iran.
语种：
英文
关键词：
Alpinin A;diarylheptanoid;flavonoeid;leukemia
期刊：
Journal of Computational Biophysics and Chemistry
ISSN：
2737-4165
年：
2026
卷：
accepted papers
期：
03
页码：
333-346
基金类别：
Cancer Prevention Research Center of Isfahan University of Medical Sciences [2402239
摘要：
Background:Alpinia officinarum, a member of the Zingiberaceae family, is native to East Asia. It possesses various properties, including antineoplastic effects, but the molecular mechanism underlying its inhibition of acute myeloid leukemia (AML) remains unclear. This study explored the biological mechanisms and pharmacological effects of Alpinia officinarum in AML through network pharmacology, molecular docking and molecular dynamics (MD) simulation. Methods: Active compounds were identified through a literature review and Dr. Duke's database. Compounds were screened based on solubility, oral bioavailability (OB) and drug-likeness (DL) using SwissADME and Molsoft tools. ...
